SCHEMBL13102465

SCHEMBL13102465

CCCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
XBP1 P17861 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
GPR139 Q6DWJ6 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3067313 0.94 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13102277 0.92 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13101613 0.92 ALDH1A1 (0.42) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13102452 0.91 ALDH1A1 (0.42) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13101951 0.90 IDO1 (0.47) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13102190 0.90 CSNK1D (0.41) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13102262 0.88 CYP3A4 (0.42) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13102227 0.88 NPSR1 (0.41) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13101984 0.87 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13102195 0.86 LMNA (0.44) ALDH1A1MEN1KMT2ALMNANPSR1

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 329/4885MEN1 781/4885

“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.