SCHEMBL632295

SCHEMBL632295

NC(Cc1cnc[nH]1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
HRH4 Q9H3N8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
NLN Q9BYT8 5/20 0.49
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
TAAR1 Q96RJ0 3/20 0.47
CYP3A4 P08684 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CYP19A1 P11511 2/20 0.43
GPR39 O43194 1/20 0.43
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41

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
SCHEMBL632198 0.79 HRH4 (0.51) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL632088 0.75 NLN (0.61) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL632158 0.74 NLN (0.50) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL1156871 0.71 SLC6A4 (0.41) ALDH1A1CYP1A2CYP3A4CYP19A1
SCHEMBL631421 0.71 CYP19A1 (0.63) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL1829730 0.70 EPHX1 (0.50) ALDH1A1CYP1A2LMNATAAR1SLC7A5
SCHEMBL2626818 0.69 ADRA1D (0.61) HRH3HRH4KMT2ATAAR1
SCHEMBL226163 0.68 CYP19A1 (0.58) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL2741597 0.68 TAAR1 (0.59) HRH3HRH4KMT2ACYP1A2LMNA
SCHEMBL632843 0.68 HRH4 (0.47) HRH3HRH4ALDH1A1MEN1GLA

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 5 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
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 HRH3 728/4885HRH4 365/4885ALDH1A1 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.