SCHEMBL4211206

SCHEMBL4211206

CNc1cc(NC(=O)C=Cc2c(OC)cc(OC)cc2OC)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.47
TRPV1 Q8NER1 2/20 0.47
RECQL P46063 1/20 0.47
MAOA P21397 2/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.45
STAT1 P42224 1/20 0.45

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
SCHEMBL4211197 1.00 PTGS2 (0.52) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL4207082 0.89 PTGS2 (0.51) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL4211907 0.89 PTGS2 (0.51) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL4211920 0.89 PTGS2 (0.51) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL4207096 0.89 PTGS2 (0.51) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL4218406 0.88 CA12 (0.50) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL4218425 0.88 CA12 (0.50) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL18438092 0.87 CREBBP (0.60) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL18437826 0.87 TGM2 (0.51) PTGS2ABCG2MAPTMEN1KMT2A
SCHEMBL18437830 0.87 TGM2 (0.51) PTGS2ABCG2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 EP claimed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 EP claimed
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 US claimed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 EP claimed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 WO claimed
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 EP disclosed
US-7482488-B2 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-01-27 US disclosed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 EP disclosed
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 US disclosed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 EP disclosed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 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-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof BCL2A1, NFE2L2, BCL2 PTGS2 371/4885ABCG2 734/4885MAPT 4667/4885

“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.