SCHEMBL6984471

SCHEMBL6984471

O=C1/C(=C/c2ccc(Cl)cc2)C(N2CCOCC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
HCRTR1 O43613 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
DUSP1 P28562 1/20 0.38
DUSP6 Q16828 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6989242 0.90 CYP1A2 (0.46) HCRTR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7212650 0.90 CYP1A2 (0.46) HCRTR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6987063 0.87 HSP90AA1 (0.41) MAOBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18994283 0.85 MAPT (0.51) MAOBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6987214 0.84 ALDH1A1 (0.35) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL7208258 0.77 CYP1A2 (0.54) MAOBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7208263 0.77 CYP1A2 (0.54) MAOBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6987251 0.77 CYP1A2 (0.54) MAOBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13192022 0.77 ALDH1A1 (0.37) HCRTR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6987060 0.77 APP (0.40) HCRTR1CYP1A2CYP3A4CYP2C9CYP2C19

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 MAOB 4129/4885HCRTR1 4385/4885CYP1A2 4787/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885HCRTR1 4385/4885CYP1A2 4787/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 MAOB 4129/4885HCRTR1 4385/4885CYP1A2 4787/4885

“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.