SCHEMBL4253087

SCHEMBL4253087

CNC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.70
ALDH1A1 P00352 16/20 0.70
KMT2A Q03164 2/20 0.65
LMNA P02545 2/20 0.63
HPGD P15428 5/20 0.61
HSD17B10 Q99714 5/20 0.61
ATM Q13315 3/20 0.61
GAA P10253 5/20 0.59
MAPT P10636 4/20 0.59
GLA P06280 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
TSHR P16473 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
SCHEMBL14413343 0.83 KDM4E (0.69) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL13088436 0.83 KDM4E (0.69) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL30487008 0.83 KDM4E (0.69) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL27203069 0.83 KDM4E (0.74) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL27202757 0.83 KDM4E (0.68) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL30234832 0.83 KDM4E (0.66) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL15242597 0.83 KDM4E (0.66) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL24166609 0.83 KMT2A (0.57) KDM4EALDH1A1KMT2AHPGDGAA
SCHEMBL558695 0.82 KDM4E (0.68) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL4251749 0.81 KDM4E (0.65) KDM4EALDH1A1KMT2ALMNAHPGD

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 KDM4E 2811/4885ALDH1A1 3475/4885KMT2A 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.