SCHEMBL4258648

SCHEMBL4258648

COC(=O)c1ccc2c(=O)n(Cc3cccc(F)c3)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.63
ALDH1A1 P00352 10/20 0.63
KDM4E B2RXH2 8/20 0.63
KMT2A Q03164 5/20 0.63
HPGD P15428 3/20 0.63
GLA P06280 3/20 0.63
PKM P14618 2/20 0.63
HTT P42858 2/20 0.63
HSD17B10 Q99714 1/20 0.63
HTR3A P46098 2/20 0.62
CACNA1G O43497 1/20 0.62
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 3/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PARP1 P09874 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL7102452 0.92 CACNA1G (0.53) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL4253579 0.89 GAA (0.65) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL2118623 0.88 ALDH1A1 (0.69) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL4253715 0.87 HTR3A (0.67) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL4248737 0.87 HTR3A (0.64) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL4252121 0.84 MAPT (0.68) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL4251219 0.83 ALDH1A1 (0.63) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL4256455 0.83 GAA (0.72) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL12822426 0.82 HPGD (0.60) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL25236133 0.81 ALDH1A1 (0.69) GAAALDH1A1KDM4EKMT2AHPGD

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-8748422-B2 Pharmaceutical compositions containing quinazoline derivatives for treating as serotonin receptor antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-10 US disclosed
US-20090054433-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-26 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-20090054433-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST HTR3A, HTR3B, HTR3E GAA 865/4885ALDH1A1 3475/4885KDM4E 2811/4885

“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.