SCHEMBL1365828

SCHEMBL1365828

O=C(C=Cc1ccc(Cl)cc1)c1cc2cc(Br)ccc2sc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.55
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 3/20 0.52
HPGD P15428 3/20 0.52
ALOX12 P18054 3/20 0.52
RECQL P46063 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MCL1 Q07820 1/20 0.52
MAOB P27338 5/20 0.49
MAOA P21397 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
GUSB P08236 1/20 0.46
BCHE P06276 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1365826 1.00 STAT3 (0.55) STAT3MAPTKDM4EMEN1ALDH1A1
SCHEMBL1368977 1.00 STAT3 (0.55) STAT3MAPTKDM4EMEN1ALDH1A1
SCHEMBL1368611 0.90 MAOB (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL1366805 0.90 MAOB (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL1366807 0.90 MAOB (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL1368712 0.86 MAPT (0.60) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL1369738 0.86 MAPT (0.60) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL1368714 0.86 MAPT (0.60) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL1368860 0.86 MAPT (0.56) STAT3MAPTKDM4EMEN1ALDH1A1
SCHEMBL1368861 0.86 MAPT (0.56) STAT3MAPTKDM4EMEN1ALDH1A1

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
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 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

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 STAT3 3059/4885MAPT 4718/4885KDM4E 2293/4885

“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.