SCHEMBL4252121

SCHEMBL4252121

COC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
KMT2A Q03164 4/20 0.67
GAA P10253 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
KDM4E B2RXH2 2/20 0.67
GLA P06280 1/20 0.67
PKM P14618 1/20 0.67
HTT P42858 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.62
HTR3A P46098 6/20 0.62
CACNA1G O43497 3/20 0.62
TP53 P04637 2/20 0.59
MEN1 O00255 3/20 0.58
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL2118623 0.91 ALDH1A1 (0.69) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL4253579 0.90 GAA (0.65) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL4256455 0.90 GAA (0.72) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL6301538 0.87 GAA (0.62) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL4249018 0.86 HTR3A (0.63) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL7194154 0.85 HPGD (0.59) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL4249457 0.84 SMN1; SMN2 (0.67) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL4253715 0.84 HTR3A (0.67) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL4258648 0.84 GAA (0.63) MAPTKMT2AGAAALDH1A1HPGD
SCHEMBL6306378 0.83 KMT2A (0.77) MAPTKMT2AGAAALDH1A1HPGD

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 MAPT 400/4885KMT2A 1077/4885GAA 865/4885

“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.