SCHEMBL2264618

SCHEMBL2264618

COc1ccc(CN2C(=O)CN=C(c3ccc(NC(=O)OC(C)(C)C)cc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 6/20 0.51
MAPT P10636 4/20 0.51
MCL1 Q07820 1/20 0.51
LMNA P02545 2/20 0.46
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.45
GAA P10253 2/20 0.45
TSPO P30536 1/20 0.45
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL2119203 0.90 TP53 (0.48) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL607167 0.87 TP53 (0.64) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL2267896 0.84 TP53 (0.54) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL11964655 0.84 TP53 (0.59) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL14064651 0.83 TP53 (0.65) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL607145 0.82 TP53 (0.59) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5361219 0.82 TP53 (0.72) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL2602026 0.82 TP53 (0.47) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL2119570 0.80 TP53 (0.54) NPSR1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL11964650 0.79 CTSB (0.43) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139331-B1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF UNIV MICHIGAN (US) 2013-02-20 EP disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US disclosed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US disclosed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US disclosed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US disclosed
EP-2139331-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF The Regents of the University of Michigan (US) 2010-01-06 EP disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 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-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 NPSR1 348/4885ALDH1A1 3248/4885SMN1; SMN2 4184/4885
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 NPSR1 348/4885ALDH1A1 3248/4885SMN1; SMN2 4184/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 NPSR1 348/4885ALDH1A1 3248/4885SMN1; SMN2 4184/4885

“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.