SCHEMBL4579431

SCHEMBL4579431

N#Cc1ccc(N2C(=O)C(CC(=O)O)=C3CCCCC32)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.36
USP14 P54578 6/20 0.36
CYP19A1 P11511 1/20 0.35
PGR P06401 1/20 0.35
EPHX1 P07099 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CPT1A P50416 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
HTT P42858 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
SCHEMBL4580904 0.86 CYP19A1 (0.36) NR3C2USP14CYP19A1CTSSCTSK
SCHEMBL4581959 0.85 ELANE (0.37) USP14CYP19A1CTSSCTSK
SCHEMBL4579520 0.84 NR3C2 (0.39) NR3C2
SCHEMBL4579775 0.83 KDM4E (0.37) CYP19A1CPT1APTGDR2GAA
SCHEMBL4582295 0.83 ITGB3 (0.36) CPT1AGAA
SCHEMBL14252193 0.78 PRKCQ (0.39) NR3C2
SCHEMBL4582527 0.78 PRKCQ (0.39) NR3C2
SCHEMBL4795484 0.76 TSHR (0.36) NR3C2USP14CYP19A1CTSSCTSK
SCHEMBL4579589 0.71 PARP10 (0.35) CPT1A
SCHEMBL4581109 0.70 HSP90B1 (0.45)

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 NR3C2 1577/4885USP14 4239/4885CYP19A1 483/4885

“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.