SCHEMBL4581914

SCHEMBL4581914

Cn1nc(-c2ccc(C#N)c(Br)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.42
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRD1 P41143 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
SCHEMBL4580699 0.77 HSP90AA1 (0.40) CYP11B2
SCHEMBL4578462 0.70 CYP11B2 (0.46) CYP11B2POLBKMT2AKDM4EALDH1A1
SCHEMBL1219080 0.67 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL4579779 0.66 KDM1A (0.41) CYP11B2KDM4EALDH1A1
SCHEMBL29460659 0.65 CA4 (0.57) CYP11B2HPGDKMT2AKDM4EALDH1A1
SCHEMBL22548234 0.65 CA4 (0.57) CYP11B2HPGDKMT2AKDM4EALDH1A1
SCHEMBL3627633 0.65 HSP90AB1 (0.56) CYP11B2ALDH1A1OPRM1OPRK1OPRD1
SCHEMBL1220320 0.64 HSP90AB1 (0.57) CYP11B2OPRM1OPRK1OPRD1
SCHEMBL1220212 0.64 HSP90AB1 (0.50) CYP11B2OPRM1OPRK1OPRD1
SCHEMBL4655505 0.64 KDM4E (0.37) CYP11B2POLBKDM4EALDH1A1

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
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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
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 CYP11B2 572/4885POLB 1389/4885MAPT 3864/4885

“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.