SCHEMBL13102016

SCHEMBL13102016

CC(F)(F)c1nc2c(C#N)cccc2c(=O)n1NC(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ELANE P08246 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
GAA P10253 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
SCHEMBL13102020 0.93 ALDH1A1 (0.39) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13102107 0.86 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL3068942 0.86 ALDH1A1 (0.46) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13102272 0.85 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13102019 0.85 ALDH1A1 (0.46) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13102203 0.84 NPSR1 (0.47) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13102017 0.82 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL14539661 0.81 NPSR1 (0.46) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13101684 0.80 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL13101717 0.79 ALDH1A1 (0.49) ALDH1A1HTTNPSR1LMNAKMT2A

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 329/4885NPSR1 1871/4885

“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.