SCHEMBL3380657

SCHEMBL3380657

CSc1nc2ccccc2c(=O)n1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 4/20 0.56
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 6/20 0.50
HTT P42858 4/20 0.50
LMNA P02545 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE7A Q13946 1/20 0.47

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
SCHEMBL13282985 0.91 NPSR1 (0.63) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3379725 0.89 NPSR1 (0.57) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282919 0.88 NPSR1 (0.55) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282996 0.87 HTT (0.44) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13068698 0.87 NPSR1 (0.66) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3379143 0.87 NPSR1 (0.44) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282920 0.85 NPSR1 (0.53) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13101952 0.84 ALDH1A1 (0.53) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13102208 0.84 LMNA (0.54) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282879 0.84 ALDH1A1 (0.44) NPSR1RAB9ACYP1A2CYP3A4CYP2D6

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 7 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
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 NPSR1 1722/4885RAB9A 560/4885CYP1A2 3034/4885
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS KCNQ1, KCNK17, KCNQ2 NPSR1 1722/4885RAB9A 560/4885CYP1A2 3034/4885

“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.