SCHEMBL1594872

SCHEMBL1594872

CCOC(=O)c1nc([N+](=O)[O-])cn1CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.51
ALDH1A1 P00352 3/20 0.45
AR P10275 1/20 0.41
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1594228 0.84 ALDH1A1 (0.59) MITFALDH1A1PKMMAPTKMT2A
SCHEMBL27708092 0.82 ALDH1A1 (0.41) MITFALDH1A1PKMKMT2ALMNA
SCHEMBL1080487 0.81 MITF (0.54) MITFALDH1A1PKMMAPTKMT2A
SCHEMBL2570796 0.81 MITF (0.49) MITFALDH1A1ARPKMMAPT
SCHEMBL30211422 0.80 MITF (0.56) MITFALDH1A1PKMMAPTKMT2A
SCHEMBL1594682 0.80 LMNA (0.45) ALDH1A1MAPTKMT2ALMNAJAK2
SCHEMBL31614495 0.79 MITF (0.52) MITFALDH1A1PKMMAPTKMT2A
SCHEMBL1594419 0.78 MITF (0.52) MITFALDH1A1ARPKMMAPT
SCHEMBL23389306 0.77 ALDH1A1 (0.64) MITFALDH1A1PKMKMT2ALMNA
Hydrochloric Acid SCHEMBL5741754 0.77 MITF (0.51) MITFALDH1A1ARPKMMAPT

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 22 patents — showing the first 20. 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
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
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP 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-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US 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
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

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 MITF 1342/4885ALDH1A1 2175/4885AR 4861/4885
US-20140315924-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES TPMT, MPST, STS MITF 1425/4885ALDH1A1 1502/4885AR 4651/4885
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 MITF 1850/4885ALDH1A1 770/4885AR 4786/4885

“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.