SCHEMBL4168079

SCHEMBL4168079

Cc1c(NC(=O)C(=O)c2ccccc2)ccc(C#N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AR P10275 6/20 0.41
PGR P06401 4/20 0.41
NR3C2 P08235 3/20 0.41
NR3C1 P04150 2/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
PIN1 Q13526 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38

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
SCHEMBL15229629 0.83 AR (0.48) CXCR1CXCR2ALDH1A1GAAKDM4E
SCHEMBL13199450 0.79 AR (0.47) CXCR1CXCR2ALDH1A1GAAKDM4E
SCHEMBL28943039 0.75 AR (0.49) ARPGRNR3C2NR3C1
SCHEMBL4167081 0.73 S1PR3 (0.52) ALDH1A1GAAAR
SCHEMBL27477899 0.73 AR (0.44) CXCR1CXCR2ALDH1A1GAAKDM4E
SCHEMBL2965469 0.73 HTT (0.47) ALDH1A1GAAKDM4EHPGDAR
SCHEMBL13909445 0.72 PDK1 (0.41) CXCR1CXCR2ALDH1A1GAAKDM4E
SCHEMBL4181415 0.72 PDK1 (0.41) CXCR1CXCR2ALDH1A1GAAKDM4E
SCHEMBL16841784 0.72 CXCR1 (0.44) CXCR1CXCR2ALDH1A1GAAKDM4E
SCHEMBL1364779 0.70 ALDH1A1 (0.39) CXCR1CXCR2ALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 CXCR1 1269/4885CXCR2 3287/4885ALDH1A1 695/4885

“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.