SCHEMBL632224

SCHEMBL632224

Clc1cc(Cl)cc(NCc2c[nH]cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPKAPK2 P49137 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL632231 0.89 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL634320 0.86 CCNE1 (0.37) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL631864 0.84 KDM4E (0.47) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL632032 0.83 MAPT (0.44) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL632249 0.79 CLK1 (0.34) ALDH1A1HPGDMEN1KMT2A
SCHEMBL631355 0.79 MAPT (0.44) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL632276 0.79 SMN1; SMN2 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL632235 0.77 DAPK3 (0.33) CYP2C19
SCHEMBL633499 0.76 MAPT (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL632512 0.76 SMN1; SMN2 (0.42) MAPT

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 ALDH1A1 631/4885CYP1A2 212/4885CYP2C9 243/4885

“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.