SCHEMBL13101951

SCHEMBL13101951

CCCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
CXCR3 P49682 6/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NAMPT P43490 2/20 0.41
GLS O94925 1/20 0.41
TBXAS1 P24557 1/20 0.41
PTAFR P25105 1/20 0.41
GRM2 Q14416 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DGAT2 Q96PD7 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIM1 P11309 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13102465 0.90 ALDH1A1 (0.51) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13101613 0.90 ALDH1A1 (0.42) ALDH1A1HTTGLSLMNAMEN1
SCHEMBL13102452 0.87 ALDH1A1 (0.42) ALDH1A1HTTGLSLMNAMEN1
SCHEMBL13102277 0.86 ALDH1A1 (0.44) CXCR3ALDH1A1HTTHDAC6LMNA
SCHEMBL13102190 0.86 CSNK1D (0.41) ALDH1A1HTTGLSLMNAMEN1
SCHEMBL13102262 0.84 CYP3A4 (0.42) ALDH1A1HTTGLSLMNAMEN1
SCHEMBL3067313 0.84 ALDH1A1 (0.52) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102227 0.84 NPSR1 (0.41) ALDH1A1HTTGLSLMNAMEN1
SCHEMBL13102195 0.82 LMNA (0.44) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL13101676 0.81 ALDH1A1 (0.42) ALDH1A1HTTGLSLMNANPSR1

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 IDO1 1897/4885CXCR3 1932/4885ALDH1A1 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.