SCHEMBL13101696

SCHEMBL13101696

O=C(Cc1ccc(F)cc1)Nn1c(CC(F)(F)F)nc2c(C(F)(F)F)cccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TRPA1 O75762 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL13101958 0.92 ALDH1A1 (0.43) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13101699 0.92 NPSR1 (0.46) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13101704 0.90 ALDH1A1 (0.42) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13102289 0.89 ALDH1A1 (0.46) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13101729 0.88 ALDH1A1 (0.42) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13102213 0.88 ALDH1A1 (0.39) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13102057 0.87 ALDH1A1 (0.51) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13101689 0.87 ALDH1A1 (0.42) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13102291 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL13101640 0.85 ALDH1A1 (0.43) ALDH1A1LMNAHTTKMT2AMEN1

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 2354/4885LMNA 1121/4885HTT 329/4885

“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.