SCHEMBL4248735

SCHEMBL4248735

COC(=O)c1ccc2c(=O)n(Cc3ccccc3OC)c(=O)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.67
KMT2A Q03164 8/20 0.64
MEN1 O00255 7/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 9/20 0.63
GAA P10253 4/20 0.63
KDM4E B2RXH2 3/20 0.63
HPGD P15428 2/20 0.63
GLA P06280 1/20 0.63
PKM P14618 1/20 0.63
HTT P42858 1/20 0.63
HSD17B10 Q99714 1/20 0.63
POLB P06746 1/20 0.60
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL4249481 0.90 HTR3A (0.66) HTR3AKMT2AMEN1RXFP1ALDH1A1
SCHEMBL27203155 0.88 ALDH1A1 (0.61) HTR3AKMT2AMEN1ALDH1A1GAA
SCHEMBL4251219 0.87 ALDH1A1 (0.63) HTR3AKMT2AMEN1ALDH1A1GAA
SCHEMBL4249457 0.87 SMN1; SMN2 (0.67) HTR3AKMT2AMEN1ALDH1A1GAA
SCHEMBL2118623 0.85 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL8222485 0.81 HTR3A (1.00) HTR3AKMT2AALDH1A1GAAKDM4E
SCHEMBL4253715 0.81 HTR3A (0.67) HTR3AKMT2AMEN1RXFP1ALDH1A1
SCHEMBL4256455 0.81 GAA (0.72) HTR3AKMT2AMEN1ALDH1A1GAA
SCHEMBL4253579 0.81 GAA (0.65) HTR3AKMT2AMEN1RXFP1ALDH1A1
SCHEMBL30414309 0.81 KMT2A (0.77) KMT2AMEN1ALDH1A1GAAKDM4E

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 2 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

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 1/4885KMT2A 1077/4885MEN1 523/4885

“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.