SCHEMBL13587770

SCHEMBL13587770

COC(=O)C1=C(C)NC(Cc2ccc(Br)cc2)=C(C#N)C1c1ccc(F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.57
CYP2C9 P11712 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TBXA2R P21731 3/20 0.38
ADRA1A P35348 3/20 0.38
SLC6A3 Q01959 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
ABCB11 O95342 2/20 0.38
ABCB1 P08183 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADRB3 P13945 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
SCHEMBL13587742 0.93 NR3C2 (0.58) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587808 0.91 NR3C2 (0.57) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587757 0.91 NR3C2 (0.58) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587803 0.89 NR3C2 (0.58) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587769 0.89 NR3C2 (0.46) NR3C2CYP2C9MEN1CYP1A2CYP3A4
SCHEMBL13587738 0.86 NR3C2 (0.55) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587807 0.86 NR3C2 (0.63) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587809 0.84 NR3C2 (0.57) NR3C2CYP2C9KDM4EALDH1A1TBXA2R
SCHEMBL13587810 0.83 NR3C2 (0.50) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587758 0.83 NR3C2 (0.56) NR3C2CYP2C9KDM4EALDH1A1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 NR3C2 12/4885CYP2C9 2585/4885KDM4E 3960/4885

“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.