SCHEMBL6987219

SCHEMBL6987219

O=C1/C(=C/c2ccc(Cl)c(Cl)c2)C(NC2CCCCC2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.73
DUSP1 P28562 1/20 0.73
DUSP6 Q16828 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
HIF1A Q16665 1/20 0.73
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
IGF1R P08069 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NAT1 P18440 1/20 0.34
HPGD P15428 3/20 0.34
CYP19A1 P11511 1/20 0.33
TSHR P16473 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
SCHEMBL6986678 0.87 CYP2C19 (0.82) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL3705322 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL30461402 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL6986631 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL3698118 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL3698651 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL3698650 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
SCHEMBL3698122 0.85 CYP1A2 (1.00) TP53DUSP1DUSP6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6116091 0.83 CYP1A2 (0.97) TP53DUSP1DUSP6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29853655 0.83 CYP1A2 (0.97) TP53DUSP1DUSP6CYP1A2CYP3A4

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 TP53 481/4885DUSP1 4/4885DUSP6 2/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 TP53 481/4885DUSP1 4/4885DUSP6 2/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 TP53 481/4885DUSP1 4/4885DUSP6 2/4885

“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.