SCHEMBL4580545

SCHEMBL4580545

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.42
POLB P06746 1/20 0.40
OPRM1 P35372 5/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
CASP3 P42574 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRM5 P41594 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4581211 0.82 CYP11B2 (0.41) CYP11B2POLBTP53MAPT
SCHEMBL4581710 0.79 HSP90AA1 (0.46) CYP11B2OPRM1OPRK1OPRD1KDM4E
SCHEMBL14292225 0.78 OPRM1 (0.38) CYP11B2OPRM1OPRK1OPRD1
SCHEMBL4578462 0.78 CYP11B2 (0.46) CYP11B2POLBOPRM1KDM4EALDH1A1
SCHEMBL4579645 0.69 CYP11B2 (0.44) CYP11B2POLBKDM4EALDH1A1
SCHEMBL4578947 0.68 HSP90AA1 (0.44)
SCHEMBL4580710 0.67 POLB (0.37) CYP11B2POLBOPRM1OPRK1OPRD1
SCHEMBL4581097 0.66 CYP11B2 (0.41) CYP11B2POLBKDM4EALDH1A1
SCHEMBL4582471 0.66 CYP11B2 (0.42) CYP11B2
SCHEMBL1219565 0.65 KMT2A (0.51) POLBOPRM1KDM4EALDH1A1TP53

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 4 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

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 CYP11B2 710/4885POLB 1584/4885OPRM1 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.