SCHEMBL544738

SCHEMBL544738

CN(C)/C=C(/C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.40
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SCN2A Q99250 1/20 0.37
EGFR P00533 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
SCHEMBL544739 1.00 LMNA (0.53) LMNAALDH1A1CYP1A2CYP2C9RAB9A
SCHEMBL31391139 1.00 LMNA (0.53) LMNAALDH1A1CYP1A2CYP2C9RAB9A
SCHEMBL11890416 1.00 LMNA (0.53) LMNAALDH1A1CYP1A2CYP2C9RAB9A
SCHEMBL31204574 1.00 LMNA (0.53) LMNAALDH1A1CYP1A2CYP2C9RAB9A
SCHEMBL4744617 0.91 LMNA (0.45) LMNAALDH1A1CYP1A2CYP2C9RAB9A
SCHEMBL695687 0.89 LMNA (0.43) LMNAALDH1A1CYP1A2RAB9ACES2
SCHEMBL695688 0.89 LMNA (0.43) LMNAALDH1A1CYP1A2RAB9ACES2
SCHEMBL694661 0.89 LMNA (0.43) LMNAALDH1A1RAB9ACES2CES1
SCHEMBL694660 0.89 LMNA (0.43) LMNAALDH1A1RAB9ACES2CES1
SCHEMBL405487 0.85 POLB (0.49) LMNAALDH1A1RAB9AKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 US disclosed
CN-112823151-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2021-05-18 CN disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 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 (6 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 LMNA 518/4885ALDH1A1 2947/4885CYP1A2 4541/4885
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 LMNA 2339/4885ALDH1A1 4654/4885CYP1A2 4719/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 LMNA 1500/4885ALDH1A1 4132/4885CYP1A2 4837/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 LMNA 1500/4885ALDH1A1 4132/4885CYP1A2 4837/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 LMNA 1500/4885ALDH1A1 4132/4885CYP1A2 4837/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP LMNA 1353/4885ALDH1A1 2930/4885CYP1A2 4715/4885

“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.