SCHEMBL6987171

SCHEMBL6987171

Cc1ccc2c(c1)C(Br)/C(=C\c1ccccc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
DUSP1 P28562 1/20 0.40
DUSP6 Q16828 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP19A1 P11511 3/20 0.40
ELANE P08246 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL6988372 0.84 APP (0.43) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL6989385 0.84 MAOB (0.43) MAOBCYP1A2CYP19A1MAPTNPSR1
SCHEMBL6987143 0.82 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19DUSP1DUSP6
SCHEMBL6990493 0.82 MAOB (0.52) MAOBCYP19A1MAPTSMN1; SMN2LMNA
SCHEMBL18290554 0.82 CYP1A2 (0.42) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL3702163 0.82 CYP19A1 (0.52) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL3698539 0.82 CYP19A1 (0.52) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL3698540 0.82 CYP19A1 (0.52) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL6989968 0.80 CYP1A2 (0.38) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL6986986 0.80 CYP1A2 (0.38) MAOBMAOACYP1A2CYP2D6CYP2C19

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 6 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-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-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-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 4194/4885CYP1A2 4787/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAOA 4194/4885CYP1A2 4787/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 MAOB 4129/4885MAOA 4194/4885CYP1A2 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.