SCHEMBL6204298

SCHEMBL6204298

C=CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.71
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KEAP1 Q14145 3/20 0.58
NFE2L2 Q16236 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
FOLH1 Q04609 3/20 0.50
MAPT P10636 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL22163638 0.92 TGM2 (0.61) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL485753 0.91 TGM2 (0.66) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL504964 0.89 TGM2 (0.64) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL28612192 0.88 HTT (0.67) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL735886 0.87 HTT (0.68) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.86 HTT (0.81) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL17752539 0.85 TGM2 (0.66) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.84 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.84 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.84 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-04-21 US disclosed
WO-2014120800-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 WO disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 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 (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-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 TGM2 3711/4885HTT 3700/4885LMNA 4751/4885
US-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A4, CYP3A7 TGM2 3751/4885HTT 4701/4885LMNA 4540/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR TGM2 2089/4885HTT 1033/4885LMNA 4166/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 TGM2 3405/4885HTT 2511/4885LMNA 1347/4885

“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.