SCHEMBL14705744

SCHEMBL14705744

N=C(NC(=N)N1CCCCC1)Nc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ CYP3A4 P08684 2/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL23035299 0.99 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17777317 0.86 ALDH1A1 (0.52) ALDH1A1MAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL14705885 0.85 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16692414 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKMT2A
SCHEMBL16692415 0.85 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14706051 0.84 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL23035265 0.84 ALDH1A1 (0.39) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23047488 0.83 KMT2A (0.42) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL14705943 0.83 DDX3X (0.44) ALDH1A1RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL23035227 0.83 ALDH1A1 (0.43) ALDH1A1MAPTRAB9ANPC1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742019-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2021-03-03 — — EP claimed
EP-2742019-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2021-03-03 — — EP disclosed
EP-2742019-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2021-03-03 — — EP disclosed
US-9540325-B2 N1-cyclic amine-N5-substituted phenyl biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same ImmunoMet Therapeutics, Inc. (US) 2017-01-10 — — US disclosed
US-9540325-B2 N1-cyclic amine-N5-substituted phenyl biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same ImmunoMet Therapeutics, Inc. (US) 2017-01-10 — — US disclosed
US-20140179660-A1 N1-Cyclic Amine-N5-Substituted Phenyl Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same HANALL BIOPHARMA CO., LTD. (KR) 2014-06-26 — — US disclosed
US-20140179660-A1 N1-Cyclic Amine-N5-Substituted Phenyl Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same HANALL BIOPHARMA CO., LTD. (KR) 2014-06-26 — — US disclosed
WO-2013022278-A2 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KR) 2013-02-14 — — WO 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 (1 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-20140179660-A1 N1-Cyclic Amine-N5-Substituted Phenyl Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same GCKR, PRKAG1, GPR119 ALDH1A1 2347/4885MAPT 2616/4885RAB9A 1511/4885

“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.

Send feedback