SCHEMBL1369738

SCHEMBL1369738

COc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3sc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
KDM4E B2RXH2 5/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
HSP90AA1 P07900 1/20 0.60
HTT P42858 2/20 0.57
RECQL P46063 2/20 0.57
GAA P10253 1/20 0.57
BLM P54132 1/20 0.57
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
ABCG2 Q9UNQ0 6/20 0.51
MAPK1 P28482 3/20 0.51
HPGD P15428 3/20 0.51
CYP3A4 P08684 2/20 0.51

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
SCHEMBL1368712 1.00 MAPT (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1368714 1.00 MAPT (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1366899 0.87 GSK3B (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1366901 0.87 GSK3B (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1368856 0.87 GSK3B (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1367939 0.87 ABCG2 (0.58) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1367940 0.87 ABCG2 (0.58) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1369244 0.87 ABCG2 (0.58) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1365826 0.86 STAT3 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1365828 0.86 STAT3 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 5 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
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 4718/4885MEN1 1108/4885KMT2A 1726/4885

“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.