SCHEMBL1367650

SCHEMBL1367650

O=c1[nH]c2ccccc2cc1CCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 6/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
DAO P14920 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1368541 0.84 KDM4E (0.48) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL5089423 0.76 KDM4E (0.55) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL8797241 0.76 KDM4E (0.55) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL13349416 0.76 KDM4E (0.59) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL9293635 0.76 KDM4E (0.58) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL30162531 0.76 KDM4E (0.58) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL16627873 0.74 IDH1 (0.46) KDM4EALDH1A1DAOHPGDCYP1A2
SCHEMBL31154599 0.74 KDM4E (0.66) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL1263927 0.74 KDM4E (0.66) IL4I1KDM4EALDH1A1DAOHPGD
SCHEMBL7646960 0.74 DAO (0.53) IL4I1KDM4EALDH1A1DAOHPGD

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 IL4I1 944/4885KDM4E 2293/4885ALDH1A1 617/4885

“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.