Sugi Predict

Sugi Predict / Compounds / SCHEMBL837008

SCHEMBL837008

SCHEMBL837008

O=C(Cl)Cc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ P2RX7 Q99572 12/20 0.44
▸ POLB P06746 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ TP53 P04637 1/20 0.41

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
SCHEMBL29718887 0.87 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL1395757 0.87 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL1699587 0.85 MEN1 (0.52) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL30911087 0.85 MEN1 (0.52) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL16009828 0.85 P2RX7 (0.43) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL24173290 0.83 L3MBTL1 (0.48) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL30941510 0.83 L3MBTL1 (0.48) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL31078296 0.82 IDO1 (0.46) KDM4EP2RX7
SCHEMBL835045 0.82 IDO1 (0.46) KDM4EP2RX7
SCHEMBL31204359 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1CYP1A2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 — — US disclosed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 — — US disclosed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 — — EP disclosed
WO-2013190508-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-12-27 — — WO disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 — — EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 — — US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 — — US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 — — US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 — — US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 — — US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 — — US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 — — US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 — — US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 — — EP disclosed
EP-1912991-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 — — EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO disclosed
EP-1709004-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS Sepracor Inc. (US) 2006-10-11 — — EP disclosed
WO-2005066135-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 — — WO disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 — — 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 (5 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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR ALDH1A1 3634/4885MAPT 1403/4885KDM4E 1764/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR ALDH1A1 3634/4885MAPT 1403/4885KDM4E 1764/4885
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 ALDH1A1 1196/4885MAPT 4615/4885KDM4E 1869/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH ALDH1A1 856/4885MAPT 4108/4885KDM4E 4181/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR ALDH1A1 3634/4885MAPT 1403/4885KDM4E 1764/4885

“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.