SCHEMBL1369726

SCHEMBL1369726

COc1ccc2cc(C(=O)/C=C/c3ccc(Cl)cc3Cl)c(=O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
NPC1 O15118 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ABCG2 Q9UNQ0 4/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
MAOB P27338 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTPN5 P54829 1/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
STAT3 P40763 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL1369258 1.00 MAPT (0.51) MAPTNPC1L3MBTL1ABCG2KDM4E
SCHEMBL1369254 1.00 MAPT (0.51) MAPTNPC1L3MBTL1ABCG2KDM4E
SCHEMBL1367951 0.87 ABCG2 (0.62) MAPTABCG2KDM4ELMNAHPGD
SCHEMBL1369587 0.87 ABCG2 (0.62) MAPTABCG2KDM4ELMNAHPGD
SCHEMBL1367949 0.87 ABCG2 (0.62) MAPTABCG2KDM4ELMNAHPGD
SCHEMBL1368087 0.84 MAPT (0.52) MAPTNPC1L3MBTL1ABCG2KDM4E
SCHEMBL1368084 0.84 MAPT (0.52) MAPTNPC1L3MBTL1ABCG2KDM4E
SCHEMBL1368568 0.84 MAPT (0.52) MAPTNPC1L3MBTL1ABCG2KDM4E
SCHEMBL1369174 0.82 PTPN5 (0.54) MAPTNPC1L3MBTL1ABCG2KDM4E
SCHEMBL1369175 0.82 PTPN5 (0.54) MAPTNPC1L3MBTL1ABCG2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 MAPT 4718/4885NPC1 338/4885L3MBTL1 1521/4885

“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.