SCHEMBL13101673

SCHEMBL13101673

CCc1cccc2c(=O)n(NC(=O)Cc3ccc(F)cc3)c(CC)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL13102405 0.91 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL3058348 0.90 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13101685 0.90 NPSR1 (0.51) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13101631 0.89 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13102259 0.89 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13101958 0.89 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13101964 0.88 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13101640 0.88 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13101711 0.88 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL13102472 0.86 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMEN1HTT

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 2354/4885KMT2A 1295/4885LMNA 1121/4885

“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.