SCHEMBL631856

SCHEMBL631856

c1ccc(Nc2ccc(NCc3c[nH]cn3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX12 P18054 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.42
HTR2B P41595 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
KCNH3 Q9ULD8 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL631554 0.93 MAOA (0.55) MAOAMAOBALDH1A1TAAR1NISCH
Hydrochloric Acid SCHEMBL631888 0.92 MAOA (0.53) MAOAMAOBALDH1A1TAAR1NISCH
SCHEMBL1925525 0.81 KCNH3 (0.62) KCNH3
SCHEMBL631725 0.80 AGER (0.42) MAOAMAOBL3MBTL1TSHRMAPK1
SCHEMBL632601 0.80 LMNA (0.44) MAOAMAOBALDH1A1ALOX12L3MBTL1
SCHEMBL632032 0.80 MAPT (0.44) MAOAMAOBALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL5015545 0.80 KCNH3 (0.61) KCNH3
SCHEMBL631858 0.78 ALDH1A1 (0.43) MAOAMAOBALDH1A1ALOX12TAAR1
SCHEMBL631815 0.76 MAPT (0.49) ALDH1A1L3MBTL1TDP1MAPTGAA
SCHEMBL631816 0.75 HRH3 (0.39) MAOAMAOBALOX12MAPT

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 8 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 claimed
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

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 124/4885ALDH1A1 631/4885

“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.