SCHEMBL13101682

SCHEMBL13101682

CC(C)Cc1nc2ccccc2c(=O)n1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 6/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SRC P12931 1/20 0.43
ENPP2 Q13822 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13102252 0.92 MEN1 (0.44) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13101709 0.92 MEN1 (0.44) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL13101677 0.92 NPSR1 (0.51) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13101974 0.90 NPSR1 (0.59) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13101651 0.89 NPSR1 (0.48) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13101698 0.89 ALDH1A1 (0.53) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13102208 0.89 LMNA (0.54) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13101688 0.88 ALDH1A1 (0.51) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13102235 0.88 MEN1 (0.48) NPSR1ALDH1A1HTTLMNAMEN1
SCHEMBL13102257 0.88 KDM4E (0.51) NPSR1ALDH1A1HTTLMNAMEN1

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 NPSR1 1871/4885ALDH1A1 2354/4885HTT 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.