SCHEMBL13102003

SCHEMBL13102003

Cc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 2/20 0.40
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TRPA1 O75762 1/20 0.39
SLC2A1 P11166 2/20 0.38
SLC2A3 P11169 2/20 0.38
SLC2A4 P14672 2/20 0.38
SLC2A2 P11168 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL13102099 0.91 ALDH1A1 (0.42) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102098 0.90 ALDH1A1 (0.41) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102057 0.88 ALDH1A1 (0.51) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL3070758 0.88 ALDH1A1 (0.55) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102381 0.87 ALDH1A1 (0.55) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102006 0.84 CTNNB1 (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102063 0.83 ALDH1A1 (0.46) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102060 0.83 ALDH1A1 (0.46) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102062 0.82 ALDH1A1 (0.45) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102097 0.80 ERCC1 (0.42) ALDH1A1LMNARORCSLC2A1SLC2A3

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 329/4885LMNA 1121/4885

“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.