SCHEMBL1368541

SCHEMBL1368541

O=c1[nH]c2ccccc2cc1CCc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
IDH1 O75874 3/20 0.46
CYP1A2 P05177 2/20 0.46
DAO P14920 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1367650 0.84 IL4I1 (0.49) KDM4EALDH1A1HPGDIDH1CYP1A2
SCHEMBL22366537 0.82 PCSK9 (0.52) KDM4EALDH1A1HPGDCYP1A2DAO
SCHEMBL830692 0.78 CDK5 (0.44) KDM4EALDH1A1HPGDIDH1CYP1A2
SCHEMBL1368542 0.78 RXFP1 (0.45) KDM4EALDH1A1HPGDDAOHSD17B10
SCHEMBL5089423 0.75 KDM4E (0.55) KDM4EALDH1A1HPGDCYP1A2DAO
SCHEMBL8797241 0.75 KDM4E (0.55) KDM4EALDH1A1HPGDCYP1A2DAO
SCHEMBL13349416 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDCYP1A2DAO
SCHEMBL9293635 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDCYP1A2DAO
SCHEMBL30162531 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDCYP1A2DAO
SCHEMBL31154599 0.73 KDM4E (0.66) KDM4EALDH1A1HPGDCYP1A2DAO

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-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS KDM4E 2293/4885ALDH1A1 617/4885HPGD 819/4885

“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.