SCHEMBL4248749

SCHEMBL4248749

COc1cccc(Cn2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.66
HSD17B10 Q99714 4/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 6/20 0.60
GAA P10253 5/20 0.60
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 1/20 0.57
KDM4E B2RXH2 3/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL4253715 0.90 HTR3A (0.67) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL4254375 0.89 ALDH1A1 (0.72) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL20988954 0.85 ALDH1A1 (0.65) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL30882615 0.85 ALDH1A1 (0.65) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL4248737 0.83 HTR3A (0.64) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL5011466 0.81 KDM4E (0.62) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL4249481 0.80 HTR3A (0.66) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL6244847 0.80 KDM4E (0.66) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL8230075 0.80 HTR3A (1.00) HTR3AHSD17B10MAPTALDH1A1GAA
SCHEMBL2118623 0.80 ALDH1A1 (0.69) HSD17B10MAPTALDH1A1GAAHTT

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 HTR3A 1/4885HSD17B10 2985/4885MAPT 400/4885

“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.