SCHEMBL13102437

SCHEMBL13102437

CCc1nc2c(Cl)cccc2c(=O)n1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
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
SLC2A1 P11166 1/20 0.41
SLC2A3 P11169 1/20 0.41
SLC2A4 P14672 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HDAC6 Q9UBN7 4/20 0.40
RORC P51449 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.39
ISG15 P05161 1/20 0.38
USP5 P45974 1/20 0.38

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
SCHEMBL13102460 0.90 ERCC1 (0.44) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL3070912 0.88 CYP3A4 (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102098 0.87 ALDH1A1 (0.41) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102004 0.85 SLC2A1 (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13101724 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13101705 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102203 0.81 NPSR1 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102259 0.81 ALDH1A1 (0.55) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102097 0.77 ERCC1 (0.42) ALDH1A1LMNACYP3A4SLC2A1SLC2A3
SCHEMBL13102378 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHTTMEN1KMT2A

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 2354/4885LMNA 1121/4885HTT 329/4885

“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.