SCHEMBL4581746

SCHEMBL4581746

COc1ccc(OC)c(Sc2ccc(C#N)c(NC3CCC(O)CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PRKCQ Q04759 2/20 0.39
PRKCD Q05655 1/20 0.39
PTGIR P43119 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 1/20 0.37
FLT3 P36888 1/20 0.36
TYRO3 Q06418 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
SCHEMBL4581797 0.82 HSP90AA1 (0.44) FLT3TYRO3MERTKGAS6
SCHEMBL4579980 0.77 KDM4E (0.48) ARPRKCQPRKCDKDM4EALDH1A1
SCHEMBL4579724 0.74 PGR (0.50) ARPRKCQPRKCDKDM4EALDH1A1
SCHEMBL4581544 0.73 PRKCQ (0.42) ARPRKCQPRKCDKDM4EALDH1A1
SCHEMBL4581125 0.72 SRC (0.41) PRKCQPRKCDALDH1A1MEN1KMT2A
SCHEMBL4580648 0.71 PRKCQ (0.43) PRKCQPRKCD
SCHEMBL14252159 0.71 PRKCQ (0.48) PRKCQPRKCDKDM4EALDH1A1MEN1
SCHEMBL4580373 0.71 PRKCQ (0.48) PRKCQPRKCDKDM4EALDH1A1MEN1
SCHEMBL4581755 0.70 ALDH1A1 (0.42) PRKCQPRKCDKDM4EALDH1A1MAPT
SCHEMBL4580694 0.70 MAPT (0.44) ARPRKCQPRKCDKDM4EALDH1A1

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 AR 771/4885NPC1 4361/4885RAB9A 3379/4885

“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.