SCHEMBL1594762

SCHEMBL1594762

Cn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
STING1 Q86WV6 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL14785039 0.86 MAPT (0.47) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1595262 0.85 MAPT (0.42) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1594485 0.85 EPHX2 (0.59) KMT2AALDH1A1IGF1RRAB9ANPC1
SCHEMBL4069869 0.84 MAPT (0.44) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1595003 0.80 EPHX2 (0.55) MAPTKMT2AMEN1HTTNTRK1
SCHEMBL4118526 0.76 MAPT (0.66) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1596621 0.76 PANK3 (0.47) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2569996 0.75 MAPT (0.50) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2567422 0.74 MAPT (0.40) MAPTKMT2AMEN1LMNAHTT
SCHEMBL4118525 0.74 EPHX2 (0.58) MAPTKMT2AMEN1LMNAHTT

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
EP-2755964-B1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2016-06-22 EP disclosed
EP-2755964-B1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2016-06-22 EP disclosed
US-9133165-B2 Sulfonic acid salts of heterocyclylamide-substituted imidazoles AICURIS GMBH & CO. KG (DE) 2015-09-15 US disclosed
US-9133165-B2 Sulfonic acid salts of heterocyclylamide-substituted imidazoles AICURIS GMBH & CO. KG (DE) 2015-09-15 US disclosed
US-9133165-B2 Sulfonic acid salts of heterocyclylamide-substituted imidazoles AICURIS GMBH & CO. KG (DE) 2015-09-15 US disclosed
US-20140315924-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2014-10-23 US disclosed
US-20140315924-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2014-10-23 US disclosed
US-20140315924-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2014-10-23 US disclosed
WO-2013037812-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2013-03-21 WO disclosed
US-7919489-B2 e.g. 4-({[(4-Chloro-2-methylphenyl)amino]carbonyl}amino)-1-(cyclopropylmethyl)-1H-imidazole-2-carboxylic acid; antiviral agents, especially against cytomegaloviruses and other Herpes viridae; side effect reduction; antibiotic resistance AICURIS GMBH & CO. KG (DE) 2011-04-05 US disclosed
US-7919489-B2 e.g. 4-({[(4-Chloro-2-methylphenyl)amino]carbonyl}amino)-1-(cyclopropylmethyl)-1H-imidazole-2-carboxylic acid; antiviral agents, especially against cytomegaloviruses and other Herpes viridae; side effect reduction; antibiotic resistance AICURIS GMBH & CO. KG (DE) 2011-04-05 US disclosed
US-7919489-B2 e.g. 4-({[(4-Chloro-2-methylphenyl)amino]carbonyl}amino)-1-(cyclopropylmethyl)-1H-imidazole-2-carboxylic acid; antiviral agents, especially against cytomegaloviruses and other Herpes viridae; side effect reduction; antibiotic resistance AICURIS GMBH & CO. KG (DE) 2011-04-05 US disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
US-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2008-07-24 US disclosed
US-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2008-07-24 US disclosed
US-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2008-07-24 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-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES TPMT, TYMP, PAICS MAPT 2179/4885KMT2A 1448/4885MEN1 422/4885
US-20140315924-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES TPMT, MPST, STS MAPT 830/4885KMT2A 2561/4885MEN1 399/4885

“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.