SCHEMBL632032

SCHEMBL632032

Clc1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GFER P55789 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.39
ROCK2 O75116 2/20 0.38
GRK2 P25098 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
SCHEMBL634320 0.86 CCNE1 (0.37) MAPTLMNASMN1; SMN2POLBCYP1A2
SCHEMBL632601 0.83 LMNA (0.44) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL631725 0.83 AGER (0.42) MAPTLMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL632224 0.83 ALDH1A1 (0.39) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL631554 0.82 MAOA (0.55) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL631355 0.82 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL632276 0.82 SMN1; SMN2 (0.52) MAPTLMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL631864 0.81 KDM4E (0.47) SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL4376612 0.81 MCHR1 (0.43) MAPTLMNASMN1; SMN2POLBMEN1
Hydrochloric Acid SCHEMBL631888 0.81 MAOA (0.53) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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 9 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

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 MAPT 36/4885LMNA 3570/4885SMN1; SMN2 1921/4885

“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.