SCHEMBL632843

SCHEMBL632843

NC(Cc1cnc[nH]1)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
NLN Q9BYT8 3/20 0.44
CYP3A4 P08684 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CYP19A1 P11511 2/20 0.43

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
SCHEMBL632158 0.83 NLN (0.50) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL631421 0.83 CYP19A1 (0.63) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL631901 0.80 TAAR1 (0.53) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL632492 0.78 NLN (0.42) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL632267 0.75 KMT2A (0.55) HRH4HRH3KMT2ANLNCYP19A1
SCHEMBL632088 0.73 NLN (0.61) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL3169605 0.70 IDO1 (0.49)
SCHEMBL226163 0.70 CYP19A1 (0.58) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL13381647 0.70 CYP19A1 (0.62) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL12468780 0.70 IDO1 (0.39)

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 HRH4 365/4885HRH3 728/4885ALDH1A1 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.