SCHEMBL4249018

SCHEMBL4249018

O=C(O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.63
CACNA1G O43497 7/20 0.63
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 4/20 0.60
HPGD P15428 3/20 0.60
GAA P10253 3/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 4/20 0.57
RXFP1 Q9HBX9 2/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
USP2 O75604 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
MAPK10 P53779 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
SCHEMBL20988954 0.91 ALDH1A1 (0.65) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL30882615 0.91 ALDH1A1 (0.65) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL6247549 0.90 MAPT (0.57) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL4252528 0.89 CACNA1G (0.63) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL4252121 0.86 MAPT (0.68) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL4254375 0.86 ALDH1A1 (0.72) HTR3ACACNA1GALDH1A1HSD17B10GAA
SCHEMBL17241716 0.85 CA9 (0.59) HTR3ACACNA1GALDH1A1HPGDKDM4E
SCHEMBL4253129 0.82 HTR3A (0.64) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL4248737 0.82 HTR3A (0.64) HTR3ACACNA1GALDH1A1HSD17B10HPGD
SCHEMBL6218489 0.81 HPGD (0.65) ALDH1A1HSD17B10HPGDGAAKDM4E

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.