SCHEMBL13102403

SCHEMBL13102403

CC(C)Cc1nc2cccc(F)c2c(=O)n1NC(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GPR139 Q6DWJ6 6/20 0.40
P2RY14 Q15391 1/20 0.39
NLRP3 Q96P20 1/20 0.39
HTT P42858 1/20 0.39
CXCR3 P49682 1/20 0.39
EPHX2 P34913 1/20 0.38
ENPP2 Q13822 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37

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
SCHEMBL13102415 0.91 P2RY14 (0.41) GPR139P2RY14
SCHEMBL13101991 0.88 RORC (0.41) ALDH1A1LMNAGPR139P2RY14HTT
SCHEMBL13102432 0.88 RXFP1 (0.41) ALDH1A1LMNAGPR139HTT
SCHEMBL13102285 0.87 NPSR1 (0.44) ALDH1A1LMNAHTT
SCHEMBL13102316 0.86 ALDH1A1 (0.55) ALDH1A1LMNAGPR139HTTCXCR3
SCHEMBL13102493 0.84 ALDH1A1 (0.40) ALDH1A1GPR139CACNA1GCACNA1HCACNA1I
SCHEMBL13282911 0.84 TRPV4 (0.44) TRPV4ALDH1A1LMNAGPR139P2RY14
SCHEMBL13102419 0.83 MEN1 (0.39) ALDH1A1GPR139
SCHEMBL13102005 0.83 KDM4E (0.43) LMNAGPR139
SCHEMBL13102401 0.83 GLS (0.39)

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-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 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-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 TRPV4 257/4885ALDH1A1 2354/4885LMNA 1121/4885

“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.