SCHEMBL13102011

SCHEMBL13102011

N#Cc1cccc(CC(=O)Nn2c(C(F)(F)F)nc3c(Cl)cccc3c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
PARP14 Q460N5 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
SLC2A4 P14672 1/20 0.39
CYP3A4 P08684 2/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLS O94925 1/20 0.38
P2RX7 Q99572 1/20 0.38
VNN1 O95497 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
LMNA P02545 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
SCHEMBL13102004 0.91 SLC2A1 (0.43) SLC2A1SLC2A3SLC2A4CYP3A4ALDH1A1
SCHEMBL13102012 0.89 ERCC1 (0.40) ERCC1ERCC4PARP14CYP3A4ROCK1
SCHEMBL13102384 0.86 CYP1A2 (0.48) CYP3A4ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13102460 0.85 ERCC1 (0.44) ERCC1ERCC4PARP14CYP3A4ROCK1
SCHEMBL13101686 0.83 ALDH1A1 (0.43) CYP3A4ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13102099 0.81 ALDH1A1 (0.42) ERCC1ERCC4CYP3A4ROCK1ALDH1A1
SCHEMBL13102097 0.80 ERCC1 (0.42) ERCC1ERCC4PARP14SLC2A1SLC2A3
SCHEMBL13102006 0.80 CTNNB1 (0.44) PARP14SLC2A1SLC2A3SLC2A4ALDH1A1
SCHEMBL13102272 0.79 ALDH1A1 (0.48) CYP3A4ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13101684 0.76 ALDH1A1 (0.48) CYP3A4ALDH1A1KDM4ECYP1A2CYP2D6

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 2847/4885PARP14 1452/4885

“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.