SCHEMBL633344

SCHEMBL633344

Clc1cccc(NOc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
PGR P06401 2/20 0.42
FADS1 O60427 1/20 0.42
EGFR P00533 2/20 0.42
ERBB3 P21860 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
SCHEMBL9818933 0.89 LMNA (0.44) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL633343 0.89 CYP1A2 (0.54) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5583614 0.80 ALOX15 (0.60) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL251644 0.79 ALDH1A1 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL27837793 0.78 MEN1 (0.42) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL623079 0.78 HPGD (0.50) HTTCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL1964058 0.77 ALDH1A1 (0.42) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7885162 0.77 KMT2A (0.50) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL15839989 0.77 MEN1 (0.57) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL11041588 0.77 NPC1 (0.46) HTTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
CN-101528710-B Aminomethyl-4-imidazoles HOFFMANN LA ROCHE 2012-11-07 CN 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 HTT 780/4885CYP1A2 212/4885CYP2D6 457/4885

“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.