SCHEMBL4458579

SCHEMBL4458579

CCOC(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
PPID Q08752 1/20 0.44
LTA4H P09960 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5842032 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ACTDSP1TSHR
SCHEMBL27599056 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ACTDSP1GAA
SCHEMBL4460270 0.86 LMNA (0.51) SMN1; SMN2TSHRGAAALDH1A1GLA
SCHEMBL28751721 0.85 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8624227 0.85 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACTDSP1TSHR
SCHEMBL3662111 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACTDSP1TSHR
SCHEMBL557889 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACTDSP1TSHR
SCHEMBL6608700 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACTDSP1TSHR
SCHEMBL4459514 0.83 TSHR (0.51) SMN1; SMN2MEN1KMT2ATSHRGAA
SCHEMBL8089314 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACTDSP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053658-A A kind of new method preparing Ao Gelieting key intermediate 长沙理工大学 2018-12-21 CN disclosed
CN-106946886-A The new crystalline form of inhibitors of dipeptidyl IV 默沙东公司 2017-07-14 CN disclosed
US-9181262-B2 Crystalline forms of a dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP (US) 2015-11-10 US disclosed
US-20150099891-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 US disclosed
US-8895603-B2 Crystalline forms of a dipeptidyl peptidase-IV inhibitor MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
CN-103987388-A Novel crystalline forms of dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME 2014-08-13 CN disclosed
EP-2726075-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR Merck Sharp & Dohme Corp. (US) 2014-05-07 EP disclosed
US-20140080884-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK SHARP & DOHME LTD. (GB) 2014-03-20 US disclosed
WO-2013003249-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-01-03 WO disclosed
US-20090189127-A1 Optical resin lens and production method for optical resin material KONICA MINOLTA OTPO, INC. (JP) 2009-07-30 US disclosed
CN-1910477-A Optical resin lens and method for producing optical resin material KONICA MINOLTA OPTO INC (JP) 2007-02-07 CN disclosed
EP-1717607-A1 OPTICAL RESIN LENS AND METHOD FOR PRODUCING OPTICAL RESIN MATERIAL Konica Minolta Opto, Inc. (JP) 2006-11-02 EP disclosed
US-4507450-A COORDINATION CATALYSTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-03-26 US disclosed
US-4229558-A HAVING HIGH ISOTACTIC INDEX BY USING A CATALYST PREPARED FROM A MAGNESIUM GRIGNARD REAGENT, TITANIUM HALIDE AN ETHER AND A CARBOXYLIC ESTER COMBINED WITH AN ORGANOALUMINUM COMPOUND MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1980-10-21 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 (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-20150099891-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 SMN1; SMN2 4219/4885MEN1 3757/4885KMT2A 1907/4885
US-20140080884-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR DPP4, DPP3, DPP7 SMN1; SMN2 4253/4885MEN1 3718/4885KMT2A 1960/4885

“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.