SCHEMBL4581287

SCHEMBL4581287

Cc1cc(=O)c2c(C)nn(-c3ccc(C#N)c(Br)c3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL14177805 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBKMT2AMAPK1
SCHEMBL18272618 0.69 OPRM1 (0.47) KDM4EHTTAR
SCHEMBL18272548 0.69 OPRM1 (0.45) KDM4EHTTAR
SCHEMBL14177888 0.68 KDM4E (0.54) ALDH1A1KDM4EPOLBAR
SCHEMBL14177804 0.68 HSP90AA1 (0.40) ALDH1A1KDM4EPOLBKMT2AMAPK1
SCHEMBL4582540 0.68 OPRM1 (0.42) AR
SCHEMBL4580976 0.67 KDM4E (0.46) ALDH1A1KDM4EKMT2AMAPK1MEN1
SCHEMBL1395071 0.67 TDP1 (0.43) ALDH1A1KDM4EKMT2AAR
SCHEMBL1219080 0.67 OPRM1 (0.66)
Benzene SCHEMBL27670012 0.66 OPRM1 (0.44) KDM4EHTTAR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 ALDH1A1 440/4885KDM4E 1597/4885POLB 1389/4885

“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.