SCHEMBL4581710

SCHEMBL4581710

Cn1c2c(n(-c3ccc(C(N)=O)cc3Br)c1=O)CC(C)(C)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.46
HSP90AB1 P08238 4/20 0.42
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
OPRD1 P41143 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B2 P19099 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL4579946 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL4580741 0.82 HSP90AA1 (0.58) HSP90AA1HSP90AB1OPRM1KDM4EALDH1A1
SCHEMBL4580545 0.79 CYP11B2 (0.42) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL4578947 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL14292225 0.77 OPRM1 (0.38) OPRM1OPRK1OPRD1CYP11B2
SCHEMBL4580028 0.69 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL4578462 0.68 CYP11B2 (0.46) HSP90AA1HSP90AB1OPRM1KDM4EALDH1A1
SCHEMBL1220730 0.68 KMT2A (0.55) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL4582516 0.67 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL4580635 0.67 HSP90AA1 (0.44) HSP90AA1HSP90AB1

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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 HSP90AA1 2797/4885HSP90AB1 2208/4885OPRM1 3840/4885

“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.