SCHEMBL13282909

SCHEMBL13282909

O=C(Cc1ccccc1)Nn1c(SCc2ccc(Cl)cc2)nc2cc(F)ccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
TBXA2R P21731 2/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL13282908 0.90 NPSR1 (0.54) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13068697 0.88 NPSR1 (0.68) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13282997 0.84 NPSR1 (0.58) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13068698 0.84 NPSR1 (0.66) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3379725 0.84 NPSR1 (0.57) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13283009 0.83 NPSR1 (0.57) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3376843 0.83 NPSR1 (0.53) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13283003 0.83 NPSR1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13282916 0.83 NPSR1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3380682 0.81 NPSR1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-07-29 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-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS KCNQ1, KCNK17, KCNQ2 NPSR1 1722/4885CYP1A2 3034/4885CYP2C9 2688/4885

“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.