SCHEMBL741402

SCHEMBL741402

c1ccc(C2COCc3cncn32)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.43
CYP19A1 P11511 14/20 0.41
CYP11B1 P15538 3/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TNKS2 Q9H2K2 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
SCHEMBL732160 0.79 CYP19A1 (0.41) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL732357 0.76 CYP19A1 (0.36) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL729936 0.76 CYP19A1 (0.45) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL732741 0.74 SLC6A4 (0.36) CYP11B2
SCHEMBL14769100 0.73 CYP19A1 (0.73) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL26673361 0.63 BRD4 (0.39)
SCHEMBL26673367 0.63 BRD4 (0.39)
SCHEMBL14769012 0.61 CYP19A1 (0.43) CYP11B2CYP19A1CYP11B1KCNH2MEN1
SCHEMBL38651797 0.61 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL1274529 0.60 ALDH1A1 (0.42)

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-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
US-20090192149-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US 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 (3 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-20090192149-A1 Imidazo Compounds CYP19A1, CYP11B2, GPER1 CYP11B2 2/4885CYP19A1 1/4885CYP11B1 4/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 CYP11B2 2/4885CYP19A1 70/4885CYP11B1 3/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 CYP11B2 2/4885CYP19A1 84/4885CYP11B1 3/4885

“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.