SCHEMBL249226

SCHEMBL249226

O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.65
PSEN1 P49768 3/20 0.65
PSEN2 P49810 3/20 0.65
APH1B Q8WW43 3/20 0.65
NCSTN Q92542 3/20 0.65
APH1A Q96BI3 3/20 0.65
PSENEN Q9NZ42 3/20 0.65
MGAM O43451 1/20 0.61
GAA P10253 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58

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
SCHEMBL1021088 1.00 LRRK2 (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249225 1.00 LRRK2 (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL14674565 0.91 KDR (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249621 0.91 LRRK2 (0.59) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL14674566 0.91 KDR (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249620 0.91 LRRK2 (0.59) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249340 0.91 LRRK2 (0.59) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249341 0.91 LRRK2 (0.59) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1021460 0.91 LRRK2 (0.78) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL2132052 0.91 LRRK2 (0.78) LRRK2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8058269-B2 rac-6-chloro-3-(3-chloro-benzyl)-3-(3-isopropoxy-phenylamino)-1,3-dihydro-indol-2-one; murine double minute (MDM2 ) oncogene inhibitor; feedback control loop of p53 mutant cells; inhibit the interaction between p53 and MDM2 proteins HOFFMAN-LA ROCHE INC. (US) 2011-11-15 US disclosed
US-8058269-B2 rac-6-chloro-3-(3-chloro-benzyl)-3-(3-isopropoxy-phenylamino)-1,3-dihydro-indol-2-one; murine double minute (MDM2 ) oncogene inhibitor; feedback control loop of p53 mutant cells; inhibit the interaction between p53 and MDM2 proteins HOFFMAN-LA ROCHE INC. (US) 2011-11-15 US disclosed
US-8058269-B2 rac-6-chloro-3-(3-chloro-benzyl)-3-(3-isopropoxy-phenylamino)-1,3-dihydro-indol-2-one; murine double minute (MDM2 ) oncogene inhibitor; feedback control loop of p53 mutant cells; inhibit the interaction between p53 and MDM2 proteins HOFFMAN-LA ROCHE INC. (US) 2011-11-15 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104714-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
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-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US 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

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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS LRRK2 234/4885PSEN1 4713/4885PSEN2 4761/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A LRRK2 963/4885PSEN1 1098/4885PSEN2 1434/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 LRRK2 1233/4885PSEN1 4671/4885PSEN2 4660/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A LRRK2 993/4885PSEN1 1019/4885PSEN2 1158/4885
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 LRRK2 419/4885PSEN1 3606/4885PSEN2 2222/4885

“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.