SCHEMBL4254375

SCHEMBL4254375

COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
GAA P10253 7/20 0.71
HSD17B10 Q99714 4/20 0.71
HTT P42858 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
USP2 O75604 1/20 0.71
LMNA P02545 1/20 0.71
PKM P14618 1/20 0.71
TSHR P16473 1/20 0.71
CASP1 P29466 1/20 0.71
CASP7 P55210 1/20 0.71
TP53 P04637 2/20 0.70
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 6/20 0.65
HTR3A P46098 1/20 0.65
GLA P06280 2/20 0.64

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
SCHEMBL6244847 0.91 KDM4E (0.66) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL4256455 0.90 GAA (0.72) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL4248749 0.89 HTR3A (0.66) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL30882615 0.87 ALDH1A1 (0.65) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL20988954 0.87 ALDH1A1 (0.65) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL4249018 0.86 HTR3A (0.63) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL4252528 0.85 CACNA1G (0.63) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL7655012 0.83 KDM4E (0.72) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL17242598 0.82 KDM4E (0.70) ALDH1A1GAAHSD17B10HTTSMN1; SMN2
SCHEMBL2118623 0.81 ALDH1A1 (0.69) ALDH1A1GAAHSD17B10HTTSMN1; SMN2

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 5 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 claimed
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 claimed
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
WO-2008007835-A1 2,4-QUINAZOLINE DERIVATIVES HAVING ACTIVITY TO T-TYPE CALCIUM CHANNEL AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-17 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 (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 ALDH1A1 3475/4885GAA 865/4885HSD17B10 2985/4885

“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.