SCHEMBL6987143

SCHEMBL6987143

Cc1ccc(/C=C2/C(=O)c3ccccc3C2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP19A1 P11511 2/20 0.45
MIF P14174 1/20 0.44
DUSP1 P28562 1/20 0.42
DUSP6 Q16828 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3698540 0.87 CYP19A1 (0.52) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL3698539 0.87 CYP19A1 (0.52) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL3702163 0.87 CYP19A1 (0.52) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL3697840 0.85 MAOB (0.46) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL3697839 0.85 MAOB (0.46) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL6986688 0.85 MAOB (0.46) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL6988351 0.84 NPSR1 (0.57) CYP1A2KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL6987171 0.82 MAOB (0.48) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL13191830 0.82 CYP1A2 (0.45) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL6986961 0.81 CYP19A1 (0.42) CYP1A2KMT2ACYP2C9CYP2C19CYP3A4

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 CYP1A2 4787/4885MEN1 2916/4885KMT2A 2836/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 CYP1A2 4787/4885MEN1 2916/4885KMT2A 2836/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 CYP1A2 4787/4885MEN1 2916/4885KMT2A 2836/4885

“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.