SCHEMBL12200985

SCHEMBL12200985

CCc1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
COMT P21964 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
NPBWR1 P48145 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL31319635 0.85 HCAR2 (0.49) HCAR2ALDH1A1NPBWR1APOBEC3GCCNA2
SCHEMBL14714005 0.81 MEN1 (0.30) POLBALDH1A1APOBEC3GKDM4EMEN1
SCHEMBL173914 0.81 HCAR2 (0.47) HCAR2POLBALDH1A1KDM4EMAPT
SCHEMBL10399847 0.80 HCAR2 (0.54) HCAR2ALDH1A1
SCHEMBL16622728 0.78 LMNA (0.35)
SCHEMBL2427435 0.78
SCHEMBL27683382 0.77 CYP1A2 (0.38) HCAR2SMN1; SMN2ALDH1A1CDK2KDM4E
SCHEMBL28079252 0.74 HCAR2 (0.32) HCAR2
SCHEMBL12197657 0.73 ALDH1A1 (0.41) SMN1; SMN2POLBHTTALDH1A1NPBWR1
Ethane SCHEMBL28967597 0.72 HPGD (0.39) SMN1; SMN2POLBALDH1A1GAAKDM4E

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
US-20230312478-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-10-05 US disclosed
CN-114213328-B Method for synthesizing nitroamine compound 武汉大学 2023-08-29 CN disclosed
CN-114213328-A Method for synthesizing nitramine compound 武汉大学 2022-03-22 CN disclosed
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2018-05-03 US disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-9103822-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2015-08-11 US disclosed
US-9017954-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2015-04-28 US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed
US-20140243236-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION VENTANA MEDICAL SYSTEMS, INC. (US) 2014-08-28 US disclosed
US-20130273565-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-17 US disclosed
US-8445191-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2013-05-21 US disclosed
US-20110244545-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2011-10-06 US disclosed
US-7985557-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2011-07-26 US disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-20080305497-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2008-12-11 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 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 (7 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-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN HCAR2 476/4885COMT 3778/4885SMN1; SMN2 4773/4885
US-20110244545-A1 Polymeric carriers for immunohistochemistry and in situ hybridization FCGR2A, CD68, CA14 HCAR2 419/4885COMT 1812/4885SMN1; SMN2 4326/4885
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE CRBN, AHR, RORB HCAR2 740/4885COMT 2074/4885SMN1; SMN2 4647/4885
US-20230312478-A1 HERBICIDAL COMPOUNDS AADAC, DDT, HDHD5 HCAR2 1469/4885COMT 2657/4885SMN1; SMN2 4643/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG HCAR2 952/4885COMT 1765/4885SMN1; SMN2 4733/4885
US-20140243236-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION FCGR2A, CD68, CA14 HCAR2 419/4885COMT 1812/4885SMN1; SMN2 4326/4885
US-20080305497-A1 Polymeric carriers for immunohistochemistry and in situ hybridization FCGR2A, CD68, CA14 HCAR2 419/4885COMT 1812/4885SMN1; SMN2 4326/4885

“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.