SCHEMBL13101705

SCHEMBL13101705

CCc1nc2c(Cl)cccc2c(=O)n1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC6 Q9UBN7 4/20 0.42
PDE7A Q13946 1/20 0.41
SRC P12931 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13102496 0.90 CASP3 (0.40) ALDH1A1HDAC6SRCTRPV1NPSR1
SCHEMBL13101724 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13101726 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3070912 0.89 CYP3A4 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13101953 0.87 TRPV1 (0.43) ALDH1A1SRCTRPV1NPSR1CASP3
SCHEMBL13102208 0.86 LMNA (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13102247 0.85 SRC (0.46) ALDH1A1SRCNPSR1CASP3CASP7
SCHEMBL13102460 0.85 ERCC1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13102090 0.84 TRPV1 (0.39) ALDH1A1SRCTRPV1NPSR1CASP3
SCHEMBL13102109 0.84 LMNA (0.43) ALDH1A1HDAC6TRPV1NPSR1LMNA

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 ALDH1A1 2354/4885CYP1A2 3363/4885CYP3A4 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.