SCHEMBL13102018

SCHEMBL13102018

CCc1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
CSNK1D P48730 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
HDAC6 Q9UBN7 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 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

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
SCHEMBL13102007 0.91 HDAC6 (0.43) NPSR1CSNK1DALDH1A1MEN1KMT2A
SCHEMBL13102014 0.91 KDM4E (0.42) NPSR1CSNK1DALDH1A1MEN1KMT2A
SCHEMBL13101638 0.90 ALDH1A1 (0.56) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13102209 0.89 TRPV1 (0.39) NPSR1CSNK1DALDH1A1MEN1KMT2A
SCHEMBL13101636 0.89 KDM4E (0.53) NPSR1CSNK1DALDH1A1MEN1KMT2A
SCHEMBL13102374 0.88 CSNK1D (0.45) CSNK1DALDH1A1MEN1KMT2ALMNA
SCHEMBL13102008 0.87 ALDH1A1 (0.39) NPSR1CSNK1DALDH1A1MEN1KMT2A
SCHEMBL13102193 0.87 CSNK1D (0.45) CSNK1DALDH1A1LMNAHTTKDM4E
SCHEMBL13102278 0.87 ALDH1A1 (0.42) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13101645 0.87 NPSR1 (0.50) NPSR1ALDH1A1MEN1KMT2ALMNA

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 NPSR1 1871/4885CSNK1D 2550/4885ALDH1A1 2354/4885

“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.