SCHEMBL4252129

SCHEMBL4252129

Cn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
ALDH1A1 P00352 6/20 0.64
GAA P10253 6/20 0.64
HPGD P15428 5/20 0.64
HSD17B10 Q99714 4/20 0.64
HTR3A P46098 1/20 0.56
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
KMT2A Q03164 2/20 0.53
PARP1 P09874 3/20 0.51
GLA P06280 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
CSNK2A1 P68400 2/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
DYRK1A Q13627 1/20 0.46

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
SCHEMBL30183620 0.84 ALDH1A1 (0.69) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2116506 0.84 HTR3A (0.62) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2117984 0.84 ALDH1A1 (0.69) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4251761 0.81 KDM4E (0.83) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL29670373 0.81 ALDH1A1 (0.52) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1759317 0.81 ALDH1A1 (0.52) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL27202845 0.81 ALDH1A1 (0.74) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9919019 0.80 HTR3A (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1759132 0.78 B3GNT2 (0.61) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2671133 0.78 KDM4E (0.52) KDM4EALDH1A1GAAHPGDHSD17B10

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 KDM4E 2811/4885ALDH1A1 3475/4885GAA 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.