SCHEMBL631554

SCHEMBL631554

c1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
TAAR1 Q96RJ0 2/20 0.46
NISCH Q9Y2I1 1/20 0.41
LTA4H P09960 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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 SCHEMBL631888 0.98 MAOA (0.53) MAOAMAOBTAAR1NISCHLTA4H
SCHEMBL631856 0.93 MAOA (0.49) MAOAMAOBTAAR1NISCHALDH1A1
SCHEMBL632601 0.82 LMNA (0.44) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL631725 0.82 AGER (0.42) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL632032 0.82 MAPT (0.44) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL631864 0.80 KDM4E (0.47) MAOBRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30034533 0.80 KMT2A (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL631858 0.80 ALDH1A1 (0.43) MAOAMAOBTAAR1NISCHNPC1
SCHEMBL631815 0.78 MAPT (0.49) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL631816 0.77 HRH3 (0.39) MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
EP-0564356-A1 4-phenylaminomethylimidazole derivatives, process for their preparation, angiotensin II receptor antagonists and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1993-10-06 EP disclosed
EP-0081324-B1 SUBSTITUTED PHARMACOLOGICALLY ACITVE IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-08-06 EP disclosed
US-4517198-A Diuretic imidazole derivatives FARMOS GROUP LTD. (FI) 1985-05-14 US disclosed
EP-0081324-A2 Substituted pharmacologically acitve imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-06-15 EP 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MAOA 148/4885MAOB 124/4885TAAR1 419/4885

“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.