SCHEMBL3070912

SCHEMBL3070912

CCc1nc2c(Cl)cccc2c(=O)n1NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
HDAC6 Q9UBN7 5/20 0.48
RXFP1 Q9HBX9 1/20 0.46
ISG15 P05161 1/20 0.45
USP5 P45974 1/20 0.45
USP16 Q9Y5T5 1/20 0.45
USP3 Q9Y6I4 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL13101685 0.89 NPSR1 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13101705 0.89 ALDH1A1 (0.43) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13102437 0.88 ALDH1A1 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13101950 0.88 ALDH1A1 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13101731 0.88 ALDH1A1 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13101702 0.87 CYP1A2 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13102404 0.87 NPSR1 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13101629 0.87 NPSR1 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13102460 0.86 ERCC1 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13102229 0.86 ALDH1A1 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663237-B1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-06-19 EP disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
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
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-7741332-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2010-06-22 US disclosed
US-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7223768-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2005-03-17 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 (3 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-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 CYP3A4 3206/4885CYP2C9 2788/4885CYP2C19 1388/4885
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 CYP3A4 3206/4885CYP2C9 2788/4885CYP2C19 1388/4885
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators KCNK17, KCNJ2, KCNJ1 CYP3A4 3206/4885CYP2C9 2788/4885CYP2C19 1388/4885

“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.