SCHEMBL13102012

SCHEMBL13102012

Cc1cccc2c(=O)n(NC(=O)Cc3cccc(C#N)c3)c(C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
CYP3A4 P08684 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.38
GLS O94925 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
VNN1 O95497 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
LMNA P02545 2/20 0.37
PARP14 Q460N5 1/20 0.37
MAPK8 P45983 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL13102006 0.91 CTNNB1 (0.44) ALDH1A1KDM4EHTTCTNNB1TCF7L2
SCHEMBL13102011 0.89 ERCC1 (0.40) ERCC1ERCC4CYP3A4ROCK1ALDH1A1
SCHEMBL13101717 0.86 ALDH1A1 (0.49) CYP3A4ALDH1A1KDM4EHTTLMNA
SCHEMBL13102099 0.84 ALDH1A1 (0.42) ERCC1ERCC4CYP3A4ROCK1ALDH1A1
SCHEMBL13102440 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHTTCTNNB1TCF7L2
SCHEMBL13102097 0.82 ERCC1 (0.42) ERCC1ERCC4CYP3A4ROCK1ALDH1A1
SCHEMBL13102107 0.80 ALDH1A1 (0.48) CYP3A4ALDH1A1KDM4EHTTLMNA
SCHEMBL13102004 0.80 SLC2A1 (0.43) CYP3A4ALDH1A1HTTVNN1LMNA
SCHEMBL13101684 0.78 ALDH1A1 (0.48) CYP3A4ALDH1A1KDM4EHTTLMNA
SCHEMBL13102269 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHTTCTNNB1TCF7L2

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 ERCC1 2046/4885ERCC4 2847/4885CYP3A4 3206/4885

“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.