SCHEMBL13102014

SCHEMBL13102014

CCc1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CSNK1D P48730 4/20 0.42
TRPV1 Q8NER1 3/20 0.42
FFAR2 O15552 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL13102260 0.93 KDM4E (0.47) KDM4ECSNK1DHTR1ADRD2HTR2A
SCHEMBL13102358 0.92 HTR7 (0.42) KDM4EHTR1ADRD2HTR2AHTR2C
SCHEMBL13102209 0.92 TRPV1 (0.39) KDM4ECSNK1DTRPV1HTR1ADRD2
SCHEMBL13102018 0.91 NPSR1 (0.48) KDM4ECSNK1DLMNANPSR1ALDH1A1
SCHEMBL13102109 0.90 LMNA (0.43) KDM4ETRPV1HTR7LMNANPSR1
SCHEMBL13102007 0.90 HDAC6 (0.43) CSNK1DHTR1ADRD2HTR2AHTR2C
SCHEMBL13102008 0.88 ALDH1A1 (0.39) KDM4ECSNK1DLMNANPSR1ALDH1A1
SCHEMBL13102278 0.88 ALDH1A1 (0.42) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL13102193 0.88 CSNK1D (0.45) KDM4ECSNK1DFFAR2LMNAALDH1A1
SCHEMBL13101676 0.86 ALDH1A1 (0.42) CSNK1DTRPV1LMNANPSR1ALDH1A1

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 KDM4E 1397/4885CSNK1D 2550/4885TRPV1 72/4885

“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.