SCHEMBL4582013

SCHEMBL4582013

CCOc1cc(N2C(=O)C=C3C(=O)CC(C)(C)CC32)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.40
CYP11B2 P19099 4/20 0.36
KCNJ1 P48048 2/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL4580562 0.83 AR (0.38) ARCYP11B2POLB
SCHEMBL4580667 0.83 AR (0.36) ARCYP11B2POLB
SCHEMBL4579610 0.81 GAA (0.37) KDM4EALDH1A1MAPTHTTGAA
SCHEMBL4579792 0.76 HSP90AA1 (0.39) ARCYP11B2
SCHEMBL4580707 0.69 HSP90AA1 (0.45) CYP11B2
SCHEMBL4580945 0.68 HSP90AA1 (0.34) KCNH2
SCHEMBL4579911 0.65 CYP11B2 (0.41) ARCYP11B2
SCHEMBL23696538 0.63 CHRNB2 (0.49) KDM4EALDH1A1MAPT
SCHEMBL7317473 0.61 FFAR1 (0.51) ARCYP11B2KCNJ1KCNH2
SCHEMBL12767982 0.61 AR (0.56) ARKCNJ1KCNH2

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
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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 AR 1225/4885CYP11B2 710/4885KCNJ1 718/4885

“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.