SCHEMBL3378112

SCHEMBL3378112

O=C(Cc1cccc(F)c1)Nn1c(S)nc2cc(F)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
GLS O94925 2/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CASR P41180 2/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ROCK2 O75116 1/20 0.39
PLK1 P53350 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
SCHEMBL3377559 0.92 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1NPSR1LMNA
SCHEMBL15037549 0.87 NPSR1 (0.41) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13102444 0.87 ALDH1A1 (0.53) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13102109 0.85 LMNA (0.43) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13102264 0.84 ALDH1A1 (0.46) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13102069 0.83 NPSR1 (0.41) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13102314 0.83 SMN1; SMN2 (0.49) ALDH1A1MAPTLMNASIGMAR1MEN1
SCHEMBL13102241 0.83 ALDH1A1 (0.44) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13101709 0.83 MEN1 (0.44) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL13101669 0.82 SIGMAR1 (0.42) ALDH1A1HTTNPSR1LMNAPRKACA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585522-B1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2010-11-17 EP disclosed
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-07-29 US disclosed
EP-1585522-A4 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2006-08-09 EP disclosed
EP-1585522-A2 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2005-10-19 EP disclosed
US-20040198724-A1 Quinazolinones as potassium channel modulators ICAGEN, INC. 2004-10-07 US disclosed
WO-2004058704-A2 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2004-07-15 WO 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 (2 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-20040198724-A1 Quinazolinones as potassium channel modulators KCNQ1, KCNK17, KCNQ2 ALDH1A1 2776/4885HTT 517/4885MAPT 189/4885
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS KCNQ1, KCNK17, KCNQ2 ALDH1A1 2776/4885HTT 517/4885MAPT 189/4885

“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.