SCHEMBL1594772

SCHEMBL1594772

CCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.56
FAAH O00519 1/20 0.52
MCHR1 Q99705 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KMT2A Q03164 1/20 0.47
IGF1R P08069 2/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL1595469 0.92 EPHX2 (0.51) EPHX2FAAHMCHR1NPC1RAB9A
SCHEMBL2571500 0.89 EPHX2 (0.50) EPHX2FAAHMCHR1NPC1RAB9A
SCHEMBL2570527 0.88 EPHX2 (0.49) EPHX2FAAHMCHR1NPC1RAB9A
SCHEMBL1594485 0.87 EPHX2 (0.59) EPHX2FAAHMCHR1NPC1RAB9A
SCHEMBL2567978 0.87 EPHX2 (0.53) EPHX2FAAHNPC1RAB9AIGF1R
SCHEMBL1594683 0.86 EPHX2 (0.50) EPHX2FAAHNPC1RAB9APOLB
SCHEMBL2571142 0.86 EPHX2 (0.54) EPHX2FAAHMCHR1NPC1RAB9A
SCHEMBL2876477 0.86 EPHX2 (0.49) EPHX2FAAHMCHR1NPC1RAB9A
SCHEMBL2881513 0.85 EPHX2 (0.49) EPHX2FAAHNPC1RAB9AIGF1R
SCHEMBL1595202 0.85 EPHX2 (0.51) EPHX2FAAHNPC1RAB9AMAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889973-B The sulfonate of the imidazoles of heterocyclyl amides substitution 爱库利斯有限两合公司 2017-12-05 CN disclosed
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-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
EP-2755964-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2014-07-23 EP disclosed
CN-103889973-A SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG 2014-06-25 CN disclosed
WO-2013037812-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2013-03-21 WO 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
CN-101128455-A Heterocyclylamide-substituted imidazoles BAYER HEALTHCARE AG (DE) 2008-02-20 CN disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
EP-1853582-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2007-11-14 EP disclosed
WO-2006089664-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2006-08-31 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 (3 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 EPHX2 2438/4885FAAH 2072/4885MCHR1 4539/4885
US-20140315924-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES TPMT, MPST, STS EPHX2 2129/4885FAAH 1715/4885MCHR1 4218/4885
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 EPHX2 3922/4885FAAH 3850/4885MCHR1 4719/4885

“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.