SCHEMBL196341

SCHEMBL196341

CC1(Cc2cc([N+](=O)[O-])ccc2C(=O)O)CO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 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
SCHEMBL1243828 0.80 HTT (0.48) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL2557500 0.79 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL22616889 0.78 ALDH1A1 (0.43) MAPTALDH1A1CYP3A4ALOX15HTT
SCHEMBL19664859 0.78 ALDH1A1 (0.43) MAPTALDH1A1CYP3A4ALOX15HTT
SCHEMBL19664861 0.78 ALDH1A1 (0.43) MAPTALDH1A1CYP3A4ALOX15HTT
SCHEMBL28068351 0.78 ALDH1A1 (0.62) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL27882095 0.76 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL28428327 0.76 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL3387313 0.76 ALDH1A1 (0.55) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL2385986 0.75 CYP1A2 (0.64) MAPTALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323990-B1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL AG (DE) 2014-06-18 EP claimed
US-8558005-B2 Methods for the production of 2-halo-4-nitroimidazole and intermediates thereof DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2013-10-15 US claimed
JP-2012500183-A 2012-01-05 JP claimed
US-20110178308-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US claimed
EP-2323990-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 2011-05-25 EP claimed
WO-2010021409-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL GMBH EXPLOSIVSTOFF - UND SYSTEMTECHNIK (DE) 2010-02-25 WO claimed
EP-2323990-B1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL AG (DE) 2014-06-18 EP disclosed
US-8558005-B2 Methods for the production of 2-halo-4-nitroimidazole and intermediates thereof DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2013-10-15 US disclosed
US-20110178308-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
EP-2323990-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 2011-05-25 EP disclosed
WO-2010143007-A1 METHOD FOR THE PRODUCTION OF 2-HALOGENO-4-NITROIMIDAZOLE DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2010-12-16 WO disclosed
WO-2010021409-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL GMBH EXPLOSIVSTOFF - UND SYSTEMTECHNIK (DE) 2010-02-25 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 (1 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-20110178308-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF IL4I1, NUDT1, NISCH MAPT 3868/4885ALDH1A1 704/4885CYP3A4 7/4885

“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.