SCHEMBL4248737

SCHEMBL4248737

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.64
CACNA1G O43497 2/20 0.64
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
GAA P10253 4/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NPC1 O15118 2/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL4252528 0.88 CACNA1G (0.63) HTR3ACACNA1GALDH1A1KDM4EGAA
SCHEMBL20988954 0.88 ALDH1A1 (0.65) HTR3ACACNA1GALDH1A1KDM4EGAA
SCHEMBL30882615 0.88 ALDH1A1 (0.65) HTR3ACACNA1GALDH1A1KDM4EGAA
SCHEMBL4258648 0.87 GAA (0.63) HTR3ACACNA1GALDH1A1KDM4EGAA
SCHEMBL4248749 0.83 HTR3A (0.66) HTR3AALDH1A1KDM4EGAAHPGD
SCHEMBL4249018 0.82 HTR3A (0.63) HTR3ACACNA1GALDH1A1KDM4EGAA
SCHEMBL4253516 0.81 HTR3A (0.64) HTR3AALDH1A1KDM4EGAAHPGD
SCHEMBL12821913 0.81 HPGD (0.70) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL8222478 0.79 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EGAA
SCHEMBL5011339 0.79 KDM4E (0.59) HTR3AALDH1A1KDM4EGAAHPGD

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 1/4885CACNA1G 1559/4885ALDH1A1 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.