Sugi Predict

Sugi Predict / Compounds / SCHEMBL504526

SCHEMBL504526

SCHEMBL504526

NC(=O)c1ccc(Br)cc1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PARP1 P09874 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PARP15 Q460N3 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL24102358 0.85 DGAT1 (0.52) DGAT1PTGDR2PARP1KDM4EGLA
SCHEMBL27761984 0.85 DGAT1 (0.56) DGAT1PTGDR2PARP1KDM4EGLA
SCHEMBL4446190 0.85 DGAT1 (0.56) DGAT1PARP1KDM4EGLARXFP1
SCHEMBL3746157 0.82 PTGDR2 (0.53) DGAT1PTGDR2KDM4EGLANPC1
SCHEMBL7424346 0.81 DGAT1 (0.58) DGAT1PARP1KDM4EGLARXFP1
SCHEMBL15197102 0.81 PTGDR2 (0.47) DGAT1PTGDR2NPC1HPGDCASP1
SCHEMBL5483765 0.80 DGAT1 (0.51) DGAT1PARP1KDM4EGLANPC1
SCHEMBL28804021 0.79 DGAT1 (0.50) DGAT1PARP1KDM4EGLARXFP1
SCHEMBL4447929 0.79 DGAT1 (0.50) DGAT1PARP1KDM4EGLANPC1
SCHEMBL10918140 0.78 PKM (0.43) PARP1KDM4EPARP15PARP10CYP1A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101795689-B Positive allosteric modulators of benzamide mGluR5 and methods of making and using the same UNIV VANDERBILT 2014-11-19 — — CN disclosed
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 — — US disclosed
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 — — US disclosed
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 — — US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 — — US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 — — US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 — — US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 — — US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 — — US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 — — US disclosed
CN-101795689-A Positive allosteric modulators of benzamide mGluR5 and methods of making and using the same UNIV VANDERBILT 2010-08-04 — — CN disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 — — EP disclosed
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 — — US disclosed
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 — — US disclosed
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 — — US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 — — WO disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 — — WO disclosed
WO-2008128009-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 — — 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-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 DGAT1 1303/4885PTGDR2 1197/4885PARP1 3964/4885
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 DGAT1 1303/4885PTGDR2 1197/4885PARP1 3964/4885
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 DGAT1 1303/4885PTGDR2 1197/4885PARP1 3964/4885

“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.