SCHEMBL13584151

SCHEMBL13584151

CCCN(CCC)C(=N)NC(=N)Nc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
EPHX1 P07099 3/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR8 Q9NR97 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL13584664 0.99 CA12 (0.45) CA12CA1CA9EPHX1MAPT
SCHEMBL13583763 0.90 EPHX1 (0.52) CA12CA1CA9EPHX1EPHX2
SCHEMBL13584269 0.89 MEN1 (0.45) EPHX1MAPTMEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL13584449 0.89 EPHX1 (0.51) CA12CA1CA9EPHX1EPHX2
Hydrochloric Acid SCHEMBL13584472 0.88 MEN1 (0.44) EPHX1MAPTMEN1LMNAKMT2A
SCHEMBL20315926 0.85 HSD17B10 (0.43) CA12CA1CA9MAPTMEN1
SCHEMBL14868691 0.81 GAA (0.51) MAPTMEN1LMNAKMT2AHTT
SCHEMBL13584733 0.79 MEN1 (0.60) MAPTMEN1LMNAKMT2AHTT
SCHEMBL29518687 0.79 MEN1 (0.60) MAPTMEN1LMNAKMT2AHTT
SCHEMBL13585147 0.78 GAA (0.44) CA12CA1CA9MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256520-A1 BIGUANIDE DERIVATIVE, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE BIGUANIDE DERIVATIVE AS AN ACTIVE INGREDIENT HANALL BIOPHARMA CO., LTD. (KR) 2018-09-13 US claimed
US-9993446-B2 Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient IMMUNOMET THERAPEUTICS INC. (US) 2018-06-12 US claimed
US-20160317478-A1 Biguanide Derivative, A Preparation Method Thereof, And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient IMMUNOMET THERAPEUTICS INC. 2016-11-03 US claimed
US-9416098-B2 Biguanide derivative, a preparation method thereof and a pharmaceutical composition containing the biguanide derivative as an active ingredient IMMUNOMET THERAPEUTICS INC. (US) 2016-08-16 US claimed
EP-2522653-A2 BIGUANIDE DERIVATIVE, A PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE BIGUANIDE DERIVATIVE AS AN ACTIVE INGREDIENT HanAll Biopharma Co., Ltd. (KR) 2012-11-14 EP claimed
US-20120283299-A1 Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient HANALL BIOPHARMA CO., LTD. (KR) 2012-11-08 US claimed
US-10376480-B2 Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient IMMUNOMET THERAPEUTICS INC. (US) 2019-08-13 US disclosed
US-10376480-B2 Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient IMMUNOMET THERAPEUTICS INC. (US) 2019-08-13 US disclosed
US-10272055-B2 Therapeutic compounds and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-04-30 US disclosed
US-20180256520-A1 BIGUANIDE DERIVATIVE, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE BIGUANIDE DERIVATIVE AS AN ACTIVE INGREDIENT HANALL BIOPHARMA CO., LTD. (KR) 2018-09-13 US disclosed
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 US disclosed
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 US disclosed
US-9993446-B2 Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient IMMUNOMET THERAPEUTICS INC. (US) 2018-06-12 US disclosed
US-9416098-B2 Biguanide derivative, a preparation method thereof and a pharmaceutical composition containing the biguanide derivative as an active ingredient IMMUNOMET THERAPEUTICS INC. (US) 2016-08-16 US disclosed
US-20150342909-A1 THERAPEUTIC COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
US-20150342909-A1 THERAPEUTIC COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
EP-2522653-A2 BIGUANIDE DERIVATIVE, A PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE BIGUANIDE DERIVATIVE AS AN ACTIVE INGREDIENT HanAll Biopharma Co., Ltd. (KR) 2012-11-14 EP disclosed
US-20120283299-A1 Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient HANALL BIOPHARMA CO., LTD. (KR) 2012-11-08 US disclosed
US-20120283299-A1 Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient HANALL BIOPHARMA CO., LTD. (KR) 2012-11-08 US disclosed
US-20120283299-A1 Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient HANALL BIOPHARMA CO., LTD. (KR) 2012-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180256520-A1 BIGUANIDE DERIVATIVE, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE BIGUANIDE DERIVATIVE AS AN ACTIVE INGREDIENT PRKAG1, PRKAG3, PRKAG2 CA12 3473/4885CA1 3104/4885CA9 1476/4885
US-20120283299-A1 Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient PRKAG1, PRKAG2, PRKAG3 CA12 3578/4885CA1 3181/4885CA9 1606/4885
US-20150342909-A1 THERAPEUTIC COMPOUNDS AND METHODS G6PD, BRCA1, BPGM CA12 846/4885CA1 3067/4885CA9 403/4885
US-20160317478-A1 Biguanide Derivative, A Preparation Method Thereof, And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient PRKAG1, PRKAG3, PRKAG2 CA12 3487/4885CA1 3086/4885CA9 1520/4885
US-10272055-B2 Therapeutic compounds and methods G6PD, BRCA1, BPGM CA12 846/4885CA1 3067/4885CA9 403/4885
US-10376480-B2 Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient PRKAG1, PRKAG3, PRKAG2 CA12 3473/4885CA1 3104/4885CA9 1476/4885
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER EPHX1, EPHX2, CYP4X1 CA12 1712/4885CA1 2369/4885CA9 834/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.