SCHEMBL13102452

SCHEMBL13102452

CCCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
CSNK1D P48730 2/20 0.42
GPR139 Q6DWJ6 6/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GLS O94925 2/20 0.39
SLC2A1 P11166 1/20 0.38
SLC2A3 P11169 1/20 0.38
SLC2A4 P14672 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL13101676 0.94 ALDH1A1 (0.42) ALDH1A1HTTCSNK1DGPR139LMNA
SCHEMBL13102190 0.92 CSNK1D (0.41) ALDH1A1HTTCSNK1DGPR139LMNA
SCHEMBL13102465 0.91 ALDH1A1 (0.51) ALDH1A1HTTGPR139LMNAMEN1
SCHEMBL13102277 0.90 ALDH1A1 (0.44) ALDH1A1HTTCSNK1DGPR139LMNA
SCHEMBL13102262 0.89 CYP3A4 (0.42) ALDH1A1HTTCSNK1DGPR139LMNA
SCHEMBL13102264 0.88 ALDH1A1 (0.46) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13101701 0.88 LMNA (0.39) ALDH1A1HTTGPR139LMNASLC2A1
SCHEMBL13101951 0.87 IDO1 (0.47) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13101986 0.87 ALDH1A1 (0.44) ALDH1A1HTTCSNK1DGPR139LMNA
SCHEMBL13102318 0.87 SLC2A1 (0.45) ALDH1A1HTTCSNK1DGPR139LMNA

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 2354/4885HTT 329/4885CSNK1D 2550/4885

“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.