SCHEMBL4249457

SCHEMBL4249457

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 8/20 0.65
MAPT P10636 5/20 0.65
KDM4E B2RXH2 7/20 0.63
GAA P10253 6/20 0.63
KMT2A Q03164 4/20 0.63
HPGD P15428 2/20 0.63
PKM P14618 2/20 0.63
HTT P42858 2/20 0.63
GLA P06280 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HTR3A P46098 2/20 0.62
MEN1 O00255 3/20 0.55
CACNA1G O43497 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
XBP1 P17861 1/20 0.51
NTSR1 P30989 1/20 0.51

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
SCHEMBL6301538 0.88 GAA (0.62) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL2118623 0.88 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL4248735 0.87 HTR3A (0.67) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL4251219 0.87 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL4253129 0.87 HTR3A (0.64) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL4252121 0.84 MAPT (0.68) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL4253579 0.81 GAA (0.65) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL4256455 0.81 GAA (0.72) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL30414309 0.81 KMT2A (0.77) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL6306378 0.81 KMT2A (0.77) SMN1; SMN2ALDH1A1MAPTKDM4EGAA

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 SMN1; SMN2 1798/4885ALDH1A1 3475/4885MAPT 400/4885

“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.