SCHEMBL4253579

SCHEMBL4253579

COC(=O)c1ccc2c(=O)n(Cc3ccc(F)cc3)c(=O)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
KDM4E B2RXH2 3/20 0.65
KMT2A Q03164 3/20 0.65
PKM P14618 2/20 0.65
HTT P42858 2/20 0.65
GLA P06280 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CACNA1G O43497 3/20 0.61
HTR3A P46098 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 3/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 1/20 0.58
MEN1 O00255 2/20 0.57
RXFP1 Q9HBX9 2/20 0.56
POLB P06746 1/20 0.56
PARP1 P09874 1/20 0.55

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
SCHEMBL4252121 0.90 MAPT (0.68) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL2118623 0.90 ALDH1A1 (0.69) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL4258648 0.89 GAA (0.63) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL4256455 0.89 GAA (0.72) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL4252528 0.86 CACNA1G (0.63) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL7194154 0.84 HPGD (0.59) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL25236133 0.83 ALDH1A1 (0.69) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL4253715 0.83 HTR3A (0.67) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL4251219 0.83 ALDH1A1 (0.63) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL6306378 0.82 KMT2A (0.77) GAAALDH1A1HPGDKDM4EKMT2A

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 GAA 865/4885ALDH1A1 3475/4885HPGD 1762/4885

“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.