SCHEMBL13102004

SCHEMBL13102004

N#Cc1ccc(CC(=O)Nn2c(C(F)(F)F)nc3c(Cl)cccc3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
SLC2A3 P11169 2/20 0.43
SLC2A4 P14672 2/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RORC P51449 2/20 0.38
CACNA1H O95180 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
P2RX7 Q99572 2/20 0.37
RAB9A P51151 1/20 0.36
ABCB1 P08183 2/20 0.36
CNR2 P34972 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
SCHEMBL13102011 0.91 ERCC1 (0.40) SLC2A1SLC2A3SLC2A4ALDH1A1CYP1A2
SCHEMBL13102006 0.89 CTNNB1 (0.44) SLC2A1SLC2A3SLC2A4ALDH1A1CACNA1H
SCHEMBL13101686 0.88 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13102384 0.88 CYP1A2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13102437 0.85 ALDH1A1 (0.44) SLC2A1SLC2A3SLC2A4ALDH1A1CYP1A2
SCHEMBL3053327 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13102272 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13102003 0.80 ALDH1A1 (0.48) SLC2A1SLC2A3SLC2A4ALDH1A1RORC
SCHEMBL13102012 0.80 ERCC1 (0.40) ALDH1A1CYP3A4RORCLMNAHTT
SCHEMBL13102098 0.79 ALDH1A1 (0.41) SLC2A1SLC2A3SLC2A4ALDH1A1RORC

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 SLC2A1 2404/4885SLC2A3 2061/4885SLC2A4 2428/4885

“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.