SCHEMBL632267

SCHEMBL632267

NC(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LTA4H P09960 1/20 0.54
NLN Q9BYT8 3/20 0.45
MAOB P27338 1/20 0.44
CYP19A1 P11511 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 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
SCHEMBL631901 0.82 TAAR1 (0.53) KMT2ANLNCYP19A1HRH4HRH3
SCHEMBL632492 0.80 NLN (0.42) KMT2ANLNCYP19A1HRH4HRH3
SCHEMBL2626850 0.79 HRH3 (0.63) HRH4HRH3
SCHEMBL632843 0.75 HRH4 (0.47) KMT2ANLNCYP19A1HRH4HRH3
SCHEMBL632158 0.75 NLN (0.50) KMT2ANLNHRH4HRH3
SCHEMBL631421 0.75 CYP19A1 (0.63) KMT2ANLNCYP19A1HRH4HRH3
SCHEMBL12261661 0.74 KMT2A (0.68) KMT2ASMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL28919268 0.74 KMT2A (0.68) KMT2ASMN1; SMN2MAOB
SCHEMBL632343 0.74 TAAR1 (0.62) KMT2ALTA4HMAOB
SCHEMBL19415790 0.74 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2MAOB

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 10 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
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 KMT2A 282/4885SMN1; SMN2 1921/4885LTA4H 2834/4885

“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.