SCHEMBL6990418

SCHEMBL6990418

COc1ccc(/C=C2/C(=O)c3ccc(OC)cc3C2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP19A1 P11511 2/20 0.43
MIF P14174 3/20 0.42
KIT P10721 1/20 0.42
CYP26A1 O43174 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAOA P21397 1/20 0.41
PIM1 P11309 1/20 0.41
AKR1B1 P15121 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LCK P06239 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL6990493 0.92 MAOB (0.52) MAOBMAPTNPSR1CYP19A1MIF
SCHEMBL6989385 0.91 MAOB (0.43) MAOBMAPTNPSR1CYP19A1MIF
SCHEMBL6988351 0.86 NPSR1 (0.57) MAOBMAPTNPSR1CYP19A1CYP1A2
SCHEMBL13192051 0.83 MAOB (0.49) MAOBMAPTNPSR1CYP19A1MIF
SCHEMBL13192050 0.76 MAOB (0.52) MAOBMAPTNPSR1CYP19A1MIF
SCHEMBL6993433 0.74 ALDH1A1 (0.46) MAOBMAPTNPSR1CYP19A1KIT
SCHEMBL6991381 0.74 CYP1A2 (0.60) MAOBMAPTNPSR1CYP19A1MIF
SCHEMBL6987171 0.73 MAOB (0.48) MAOBMAPTNPSR1CYP19A1CYP1A2
SCHEMBL18290554 0.72 CYP1A2 (0.42) MAOBMAPTNPSR1CYP19A1MIF
SCHEMBL13191829 0.72 NPSR1 (0.57) MAOBMAPTNPSR1CYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682919-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-06-20 US disclosed
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2016-12-08 US disclosed
US-9439877-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-09-13 US disclosed
US-20160113889-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2016-04-28 US disclosed
US-9127016-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-09-08 US disclosed
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR University of Pittsburgh-Of the Commonwealth Syste (US) 2012-05-17 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 (3 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-20160113889-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAPT 4486/4885NPSR1 4173/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAPT 4486/4885NPSR1 4173/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAPT 4486/4885NPSR1 4173/4885

“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.