SCHEMBL4579335

SCHEMBL4579335

N#Cc1ccc(N2C(=O)C(CCO)=C3CCCCC32)cc1Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
AR P10275 8/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MCL1 Q07820 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
SCHEMBL4581078 0.81 AR (0.35) AR
SCHEMBL14292113 0.78 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8FNTA
SCHEMBL4580904 0.78 CYP19A1 (0.36)
SCHEMBL4580091 0.75 PRKCQ (0.38) AR
SCHEMBL4580485 0.75 AR (0.41) AR
SCHEMBL14252192 0.75 PRKCQ (0.38) AR
SCHEMBL14252188 0.75 AR (0.34) ARLMNAKDM4EALDH1A1MAPT
SCHEMBL4582795 0.73 ALDH1A1 (0.43) ARLMNAKDM4EALDH1A1MAPT
SCHEMBL4579520 0.72 NR3C2 (0.39) AR
SCHEMBL4579589 0.71 PARP10 (0.35) MAOB

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 3 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

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 ABCC9 912/4885ABCC8 825/4885KCNJ11 1023/4885

“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.