SCHEMBL6988372

SCHEMBL6988372

O=C1/C(=C/c2ccccc2)C(Br)c2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
CYP1A2 P05177 4/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
DUSP1 P28562 1/20 0.41
DUSP6 Q16828 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTPRC P08575 1/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S100A4 P26447 1/20 0.37

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
SCHEMBL6987078 0.86 MAOB (0.37) APPCYP1A2MAPK1S100A4ALPI
SCHEMBL18290554 0.86 CYP1A2 (0.42) APPCYP1A2CYP2D6CYP2C19DUSP1
SCHEMBL6987171 0.84 MAOB (0.48) CYP1A2CYP2D6CYP2C19DUSP1DUSP6
SCHEMBL3702163 0.83 CYP19A1 (0.52) CYP1A2MAPK1CYP2D6CYP2C19DUSP1
SCHEMBL3698540 0.83 CYP19A1 (0.52) CYP1A2MAPK1CYP2D6CYP2C19DUSP1
SCHEMBL3698539 0.83 CYP19A1 (0.52) CYP1A2MAPK1CYP2D6CYP2C19DUSP1
SCHEMBL6986986 0.81 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19DUSP1DUSP6
SCHEMBL6990493 0.81 MAOB (0.52) CYP19A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL6989968 0.81 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19DUSP1DUSP6
SCHEMBL6984391 0.75 CYP1A2 (0.74) APPCYP1A2MAPK1CYP2D6CYP2C19

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 13 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
WO-2010108058-A2 SMALL MOLECULE INHIBITORS OF DUSP6 AND USES THEREFOR UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-09-23 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 (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 APP 4606/4885CYP1A2 4787/4885MAPK1 122/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 APP 4606/4885CYP1A2 4787/4885MAPK1 122/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 APP 4606/4885CYP1A2 4787/4885MAPK1 122/4885

“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.