SCHEMBL13283000

SCHEMBL13283000

Cc1csc2c(=O)n(NC(=O)Cc3ccccc3)c(SCCC(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 4/20 0.37
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ADORA2B P29275 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3414928 0.85 NPSR1 (0.45) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13282999 0.79 NPSR1 (0.68) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL3381855 0.77 NPSR1 (0.46) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13282917 0.75 RAB9A (0.43) NPSR1RAB9ACYP3A4CYP2C19CYP2D6
SCHEMBL13283003 0.75 NPSR1 (0.56) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL3378677 0.74 PRKACA (0.40) NPSR1RAB9AMEN1KMT2ATHRB
SCHEMBL13282991 0.74 ALDH1A1 (0.55) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13102106 0.68 ALDH1A1 (0.45) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13282990 0.67 NPSR1 (0.56) NPSR1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13102122 0.66 ALDH1A1 (0.41) NPSR1RAB9ACYP1A2CYP2C19CYP2C9

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 1722/4885RAB9A 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.