SCHEMBL249816

SCHEMBL249816

CCOC(=O)/C=C1\C(=O)Nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
IDO1 P14902 2/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 1/20 0.64
TGM2 P21980 1/20 0.64
NPSR1 Q6W5P4 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPK1 P28482 2/20 0.63
PKM P14618 1/20 0.63
TDO2 P48775 1/20 0.58
KDR P35968 1/20 0.57
ABL1 P00519 1/20 0.57
RET P07949 1/20 0.57
PDGFRB P09619 1/20 0.57
FGFR1 P11362 1/20 0.57
FLT3 P36888 1/20 0.57
ALK Q9UM73 1/20 0.57
CCNB2 O95067 1/20 0.52

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
SCHEMBL14524539 1.00 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL249817 1.00 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL28985650 0.84 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL15033481 0.84 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL9039009 0.83 TGM2 (0.48) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL9039014 0.83 TGM2 (0.48) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL14524551 0.81 CCNB2 (0.62) MAPTIDO1TGM2NPSR1MAPK1
SCHEMBL30724458 0.80 KDR (0.47) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL4563367 0.79 MAPK1 (0.65) ALDH1A1MAPTSMN1; SMN2IDO1HTT
SCHEMBL4563368 0.79 MAPK1 (0.65) ALDH1A1MAPTSMN1; SMN2IDO1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7759383-B2 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 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 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 (4 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-20100273799-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A ALDH1A1 3404/4885MAPT 2178/4885SMN1; SMN2 4025/4885
US-20130030173-A1 PROCESS FOR THE PREPARATION OF SMALL MOLECULE INHIBITORS OF MDM2 AND INTERMEDIATES USED THEREIN TP53, MDM2, CDKN1A ALDH1A1 2896/4885MAPT 2822/4885SMN1; SMN2 3790/4885
US-20120101092-A1 SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF TP53, MDM2, CDKN1A ALDH1A1 3404/4885MAPT 2178/4885SMN1; SMN2 4025/4885
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 ALDH1A1 2704/4885MAPT 3890/4885SMN1; SMN2 3477/4885

“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.