SCHEMBL2250873

SCHEMBL2250873

COC(=O)C(OCC=NNC(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 2/20 0.37
GCGR P47871 1/20 0.37
MEN1 O00255 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL2250869 1.00 KMT2A (0.44) KMT2AL3MBTL1RAB9APPARAPKM
SCHEMBL2256444 0.85 MAPT (0.43) KMT2ARAB9ALMNAMEN1
SCHEMBL2256442 0.85 MAPT (0.43) KMT2ARAB9ALMNAMEN1
SCHEMBL2250859 0.80 KMT2A (0.56) KMT2AL3MBTL1PKMLMNAALDH1A1
SCHEMBL2253921 0.79 KMT2A (0.50) KMT2APKMLMNAALDH1A1MEN1
SCHEMBL16672466 0.75 KMT2A (0.56) KMT2APKMLMNAALDH1A1GAA
SCHEMBL9675264 0.73 KMT2A (0.55) KMT2AL3MBTL1PKMALDH1A1CYP1A2
SCHEMBL28065294 0.73 KMT2A (0.55) KMT2APKMLMNAALDH1A1GAA
SCHEMBL27634779 0.73 KMT2A (0.55) KMT2AL3MBTL1PKMLMNAALDH1A1
SCHEMBL28225643 0.72 KMT2A (0.53) KMT2AL3MBTL1PKMLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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 (2 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B KMT2A 1831/4885L3MBTL1 789/4885RAB9A 1923/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 KMT2A 739/4885L3MBTL1 705/4885RAB9A 1868/4885

“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.