SCHEMBL4253129

SCHEMBL4253129

O=C(O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=O)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.64
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 1/20 0.60
KDM4E B2RXH2 4/20 0.57
HPGD P15428 2/20 0.57
GAA P10253 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CACNA1G O43497 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
EPHX2 P34913 1/20 0.49
PPARG P37231 1/20 0.49
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

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 0.88 ALDH1A1 (0.65) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL30882615 0.88 ALDH1A1 (0.65) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4249457 0.87 SMN1; SMN2 (0.67) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4253516 0.86 HTR3A (0.64) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4249481 0.83 HTR3A (0.66) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4249018 0.82 HTR3A (0.63) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4258844 0.81 PTPN11 (0.48) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8228010 0.79 HTR3A (1.00) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4252528 0.79 CACNA1G (0.63) HTR3AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6218489 0.78 HPGD (0.65) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD

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 3 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
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 1/4885ALDH1A1 3475/4885SMN1; SMN2 1798/4885

“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.