SCHEMBL6987078

SCHEMBL6987078

O=C1/C(=C/c2ccc(Cl)cc2)C(Br)c2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.37
MAOA P21397 3/20 0.37
S100A4 P26447 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
APP P05067 1/20 0.35
AMY1A P0DUB6 1/20 0.34
AHR P35869 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ELANE P08246 1/20 0.33
LCK P06239 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6988372 0.86 APP (0.43) MAOBMAOAS100A4PIM1PIM2
SCHEMBL3697840 0.81 MAOB (0.46) MAOBMAOAPIM1PIM2CYP1A2
SCHEMBL6986688 0.81 MAOB (0.46) MAOBMAOAPIM1PIM2CYP1A2
SCHEMBL3697839 0.81 MAOB (0.46) MAOBMAOAPIM1PIM2CYP1A2
SCHEMBL6987214 0.76 ALDH1A1 (0.35) MAOBMAOAAPPMAPK1MEN1
SCHEMBL6984492 0.76 CYP1A2 (0.58) MAOBMAOAPIM1PIM2APP
SCHEMBL18290554 0.75 CYP1A2 (0.42) MAOBMAOAPIM1PIM2APP
SCHEMBL6990418 0.72 MAOB (0.49) MAOBMAOAPIM1PIM2CYP1A2
SCHEMBL6987171 0.70 MAOB (0.48) MAOBMAOACYP1A2MEN1RAB9A
SCHEMBL13192019 0.69 MAOB (0.37) MAOBMAOAPIM1PIM2AHR

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 12 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-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-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-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-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-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
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 4129/4885MAOA 4194/4885S100A4 2730/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAOA 4194/4885S100A4 2730/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAOA 4194/4885S100A4 2730/4885

“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.