SCHEMBL1366080

SCHEMBL1366080

COc1ccc(/C=C/C(=O)c2cc3c(Br)cc(Br)cc3[nH]c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.64
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSP90AA1 P07900 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
ABCG2 Q9UNQ0 5/20 0.49
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL1367991 1.00 PADI4 (0.64) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1366081 1.00 PADI4 (0.64) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1367881 0.87 GSK3B (0.51) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1367880 0.87 GSK3B (0.51) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1369063 0.85 STAT3 (0.47) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1366558 0.85 STAT3 (0.47) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1366557 0.85 STAT3 (0.47) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1369067 0.78 PADI4 (1.00) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1367544 0.78 PADI4 (1.00) PADI4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1367541 0.78 PADI4 (1.00) PADI4MAPTMEN1KMT2ASMN1; 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 3 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

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 PADI4 3091/4885MAPT 4718/4885MEN1 1108/4885

“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.