SCHEMBL4256455

SCHEMBL4256455

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.72
TP53 P04637 3/20 0.72
ALDH1A1 P00352 7/20 0.71
HTT P42858 4/20 0.67
KDM4E B2RXH2 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HSD17B10 Q99714 4/20 0.67
PKM P14618 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.67
TSHR P16473 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
HTR3A P46098 1/20 0.66
GLA P06280 3/20 0.65
KMT2A Q03164 3/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 5/20 0.65

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
SCHEMBL6510914 0.91 KDM4E (0.65) GAATP53ALDH1A1HTTKDM4E
SCHEMBL4252121 0.90 MAPT (0.68) GAATP53ALDH1A1HTTKDM4E
SCHEMBL4254375 0.90 ALDH1A1 (0.72) GAATP53ALDH1A1HTTKDM4E
SCHEMBL2118623 0.90 ALDH1A1 (0.69) GAATP53ALDH1A1HTTKDM4E
SCHEMBL4253715 0.89 HTR3A (0.67) GAATP53ALDH1A1HTTKDM4E
SCHEMBL4253579 0.89 GAA (0.65) GAATP53ALDH1A1HTTKDM4E
SCHEMBL27203155 0.85 ALDH1A1 (0.61) GAATP53ALDH1A1HTTKDM4E
SCHEMBL7194154 0.84 HPGD (0.59) GAATP53ALDH1A1HTTKDM4E
SCHEMBL4258648 0.83 GAA (0.63) GAATP53ALDH1A1HTTKDM4E
SCHEMBL7655012 0.82 KDM4E (0.72) GAATP53ALDH1A1HTTKDM4E

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 4 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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP 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 865/4885TP53 4443/4885ALDH1A1 3475/4885

“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.