SCHEMBL250463

SCHEMBL250463

O=C1Nc2cc(Cl)ccc2/C1=C\C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
CES1 P23141 2/20 0.51
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
TGM2 P21980 3/20 0.44
MDM2 Q00987 1/20 0.43
LRRK2 Q5S007 2/20 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
SCHEMBL250464 1.00 MAPT (0.56) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL3365456 1.00 MAPT (0.56) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL249877 0.99 MAPT (0.55) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL249878 0.99 MAPT (0.55) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL3366346 0.99 MAPT (0.55) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL7472301 0.87 MAPT (0.69) MAPTCES1TGM2MDM2LRRK2
SCHEMBL7472296 0.87 MAPT (0.69) MAPTCES1TGM2MDM2LRRK2
SCHEMBL249381 0.79 CES1 (0.47) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL249380 0.79 CES1 (0.47) MAPTCES1TUBB4ATUBBTUBA3C
SCHEMBL12525996 0.75 CES1 (0.61) CES1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102627649-B Small molecule inhibitors of MDM2 and uses thereof UNIV MICHIGAN 2015-03-25 CN claimed
US-8742121-B2 Process for the preparation of small molecule inhibitors of MDM2 and intermediates used therein THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-03 US claimed
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-01-31 US claimed
EP-1856123-B1 SMALL MOLECULE INHIBITORS OF MDM2 AND USES THEREOF UNIV MICHIGAN (US) 2016-02-17 EP disclosed
CN-102627649-B Small molecule inhibitors of MDM2 and uses thereof UNIV MICHIGAN 2015-03-25 CN disclosed
US-8901117-B2 Small molecule inhibitors of MDM2 and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-12-02 US disclosed
US-8742121-B2 Process for the preparation of small molecule inhibitors of MDM2 and intermediates used therein THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-03 US disclosed
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-01-31 US disclosed
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-26 US disclosed
US-8088931-B2 Small molecule inhibitors of MDM2 and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20100273799-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-28 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 EP disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
EP-1856123-A2 SMALL MOLECULE INHIBITORS OF MDM2 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-21 EP disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20060211757-A1 INHIBITORS OF MURINE DOUBLE MINUTE-2(MDM2) SUCH AS (2'R,3'S,4'R,5'R)6-CHLORO-4'-2,2-DIMETHYL-PROPYL-2'-(2,2-DIMETHYL-PROPYL)-2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXYLIC ACID(3-MORPHOLIN-4-YL-PROPYL)-AMIDE, USED FOR INDUCING APOPTOSIS AND CELL CYCLE ARREST; ANTIPROLIFERATIVE AGENTS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-09-21 US disclosed
WO-2006091646-A2 SMALL MOLECULE INHIBITORS OF MDM2 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-08-31 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 (6 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS MAPT 4581/4885CES1 1848/4885TUBB4A 1418/4885
US-20100273799-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A MAPT 2178/4885CES1 4352/4885TUBB4A 2387/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A MAPT 2822/4885CES1 4058/4885TUBB4A 2763/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 MAPT 4139/4885CES1 1489/4885TUBB4A 633/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A MAPT 2178/4885CES1 4352/4885TUBB4A 2387/4885
US-20060211757-A1 INHIBITORS OF MURINE DOUBLE MINUTE-2(MDM2) SUCH AS (2'R,3'S,4'R,5'R)6-CHLORO-4'-2,2-DIMETHYL-PROPYL-2'-(2,2-DIMETHYL-PROPYL)-2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXYLIC ACID(3-MORPHOLIN-4-YL-PROPYL)-AMIDE, USED FOR INDUCING APOPTOSIS AND CELL CYCLE ARREST; ANTIPROLIFERATIVE AGENTS SKP2, MDM2, CCAR2 MAPT 3890/4885CES1 4518/4885TUBB4A 2514/4885

“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.