SCHEMBL631864

SCHEMBL631864

Clc1cccc(NCc2c[nH]cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 3/20 0.47
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
EGFR P00533 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ERBB2 P04626 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL632224 0.84 ALDH1A1 (0.39) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL30034533 0.82 KMT2A (0.48) KDM4EALDH1A1GAAHDAC6MEN1
SCHEMBL632032 0.81 MAPT (0.44) ALDH1A1GAAROCK2GRK2MEN1
SCHEMBL631554 0.80 MAOA (0.55) KDM4EALDH1A1SMN1; SMN2MAOBRAB9A
SCHEMBL631355 0.80 MAPT (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2DHFR
SCHEMBL632276 0.79 SMN1; SMN2 (0.52) KDM4EALDH1A1EGFRMEN1KMT2A
Hydrochloric Acid SCHEMBL631888 0.79 MAOA (0.53) KDM4EALDH1A1SMN1; SMN2MAOBRAB9A
SCHEMBL632231 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL631848 0.77 PRKCI (0.41) GAAMAOB
SCHEMBL632495 0.77 ALDH1A1 (0.36) KDM4EALDH1A1GAAHDAC6MEN1

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 12 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
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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-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 KDM4E 69/4885ALDH1A1 631/4885GAA 418/4885

“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.