SCHEMBL4249481

SCHEMBL4249481

COc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.66
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
RXFP1 Q9HBX9 1/20 0.62
POLB P06746 1/20 0.61
ALDH1A1 P00352 8/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
USP2 O75604 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 3/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PRNP P04156 1/20 0.55
PKM P14618 1/20 0.53

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
SCHEMBL4248735 0.90 HTR3A (0.67) HTR3AMEN1KMT2ARXFP1POLB
SCHEMBL4253129 0.83 HTR3A (0.64) HTR3AMEN1KMT2AALDH1A1CYP2C9
SCHEMBL4253516 0.83 HTR3A (0.64) HTR3AMEN1KMT2AALDH1A1USP2
SCHEMBL20988954 0.82 ALDH1A1 (0.65) HTR3AMEN1KMT2AALDH1A1USP2
SCHEMBL30882615 0.82 ALDH1A1 (0.65) HTR3AMEN1KMT2AALDH1A1USP2
SCHEMBL4248749 0.80 HTR3A (0.66) HTR3AMEN1KMT2AALDH1A1USP2
SCHEMBL4254375 0.80 ALDH1A1 (0.72) HTR3AMEN1KMT2AALDH1A1USP2
SCHEMBL8222485 0.80 HTR3A (1.00) HTR3AKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5009323 0.79 KDM4E (0.56) MEN1KMT2ARXFP1ALDH1A1CYP2C9
SCHEMBL5011379 0.79 HTR3A (0.91) HTR3AKMT2AALDH1A1SMN1; SMN2MAPT

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 1/4885MEN1 523/4885KMT2A 1077/4885

“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.