SCHEMBL64091

SCHEMBL64091

Cc1nc([N+](=O)[O-])c(C)n1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 6/20 0.38
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18721821 0.81 KMT2A (0.41) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL10531030 0.81 KMT2A (0.41) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL10102727 0.79 MAPT (0.36) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL10102759 0.79 KDM4E (0.43) ALDH1A1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL8340603 0.79 MAPT (0.50) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL9128635 0.79 PKM (0.43) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL11982517 0.79 KMT2A (0.37) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL10108154 0.78 KDM4E (0.34) ALDH1A1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL16882296 0.76 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL11965415 0.76 KDM4E (0.33) ALDH1A1KMT2ASMN1; SMN2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813553-A Selective deuterated N-methylation method of polyazaaromatic compound 四川大学 2023-09-29 CN disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-8129544-B2 Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-7807843-B2 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US disclosed
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. 2008-08-21 US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 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 (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-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885KMT2A 1236/4885MAPT 3906/4885
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3257/4885KMT2A 1235/4885MAPT 3315/4885
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, PRKAR2B, MAP3K13 ALDH1A1 4034/4885KMT2A 2126/4885MAPT 712/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3205/4885KMT2A 1810/4885MAPT 3259/4885
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL ALDH1A1 54/4885KMT2A 903/4885MAPT 4583/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885KMT2A 1236/4885MAPT 3906/4885

“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.