SCHEMBL13585147

SCHEMBL13585147

CCCN(CC)C(=N)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
CCR1 P32246 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 SCHEMBL13584261 0.99 GAA (0.43) GAAKMT2AMEN1CA12CA1
SCHEMBL11816021 0.82 MEN1 (0.44) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL1171548 0.80 CNR2 (0.45) GAAKMT2AMEN1LMNASMN1; SMN2
SCHEMBL13584151 0.78 CA12 (0.46) GAAKMT2AMEN1CA12CA1
Hydrochloric Acid SCHEMBL13584664 0.77 CA12 (0.45) GAAKMT2AMEN1CA12CA1
SCHEMBL14868756 0.77 TSHR (0.53) GAAKMT2AMEN1LMNASMN1; SMN2
SCHEMBL1170158 0.76 CNR2 (0.44) GAAKMT2AMEN1NPSR1LMNA
SCHEMBL5200019 0.75 LMNA (0.40) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL13584269 0.74 MEN1 (0.45) GAAKMT2AMEN1LMNASMN1; SMN2
SCHEMBL13521679 0.74 SMN1; SMN2 (0.39) GAAKMT2AMEN1LMNASMN1; SMN2

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 22 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-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-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-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-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-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 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-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-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
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 (4 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 GAA 746/4885KMT2A 2501/4885MEN1 109/4885
US-20120283299-A1 Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient PRKAG1, PRKAG2, PRKAG3 GAA 815/4885KMT2A 2514/4885MEN1 82/4885
US-20160317478-A1 Biguanide Derivative, A Preparation Method Thereof, And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient PRKAG1, PRKAG3, PRKAG2 GAA 794/4885KMT2A 2430/4885MEN1 98/4885
US-10376480-B2 Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient PRKAG1, PRKAG3, PRKAG2 GAA 746/4885KMT2A 2501/4885MEN1 109/4885

“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.