Nitromide

Nitromide

SCHEMBL193674

NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
TSHR P16473 2/20 0.66
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
CES1 P23141 2/20 0.53
CES2 O00748 1/20 0.53
CYP19A1 P11511 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47
PARP1 P09874 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TP53 P04637 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
Nitromide SCHEMBL17803670 0.98 CYP3A4 (0.96) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL3087777 0.95 CYP3A4 (0.91) CYP3A4SMN1; SMN2TSHRLMNAGAA
Nitromide SCHEMBL9225099 0.90 TSHR (0.81) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL1172383 0.88 SMN1; SMN2 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL27970845 0.88 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL3662651 0.88 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL1718794 0.88 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL9798039 0.86 CYP3A4 (0.75) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL7446030 0.86 CYP3A4 (0.75) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL2301797 0.86 CYP3A4 (0.75) CYP3A4SMN1; SMN2TSHRLMNAGAA

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 1968 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169680-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN INSTITUTE OF BASIC MEDICAL SCIENCES CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-06-02 US claimed
EP-3912989-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN Institute of Basic Medical Sciences Chinese Academy of Medical Sciences (CN) 2021-11-24 EP claimed
CN-110721752-A Polybenzamide coated Ni-doped Zn2Co3O6Oxygen evolution catalyst and preparation method thereof 张贵勇 2020-01-24 CN claimed
CN-110403152-A A kind of enzyme-linked conjunction of bacterium prepares the preparation method of tuna nutrients biological product UNIV ZHEJIANG OCEAN 2019-11-05 CN claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS LOS ALAMOS NAT SECURITY LLC (US) 2013-09-26 US claimed
WO-2013120040-A1 TARGETED PATHWAY INHIBITION TO IMPROVE MUSCLE STRUCTURE, FUNCTION AND ACTIVITY IN MUSCULAR DYSTROPHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-08-15 WO claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
US-20130177485-A1 DIAGNOSTIC DEVICE FOR IDENTIFYING RUPTURE OF MEMBRANE DURING PREGNANCY MOMTEC LIFE LTD OF YAZMOT HAEMEK (IL) 2013-07-11 US claimed
CN-102871992-A Application of 3,5-dinitrobenzene formamide in preparation of anti-tuberculosis medicaments INST MEDICINAL BIOTECHNOLOGY 2013-01-16 CN claimed
US-5985012-A SELF-POLISHING PAINT COMPRISING ANTIFOULING AGENT AND RESIN VEHICLE COMPRISING VINYL POLYMER HAVING PRIMARY AMINE PENDANT GROUPS BOUND BY REACTION WITH PENDANT CARBONYL GROUPS NIPPON PAINT CO., LTD. (JP) 1999-11-16 US claimed
JP-2859963-B2 1999-02-24 JP claimed
CN-1151695-A pharmaceutical composition containing benzamide CENTAUR PHARMACEUTICALS INC (US) 1997-06-11 CN claimed
WO-1996018895-A2 CHIRAL SEPARATION OF ENANTIOMERS BY HIGH-SPEED COUNTERCURRENT CHROMATOGRAPHY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, ASREPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-20 WO claimed
US-5527708-A MEASURING FLUORESCENCE FROM REACTION OF CREATININE AND 3,5-DINITROBENZOATES OR 3,5-DINITROBENZAMIDE BLASS KARL G (CA) 1996-06-18 US claimed
EP-0532664-B1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RES CORP TECHNOLOGIES INC (US) 1996-02-14 EP claimed
EP-0414055-B1 Acid modified polyarylenesulfides BAYER AG (DE) 1995-10-11 EP claimed
EP-0670677-A1 POTENTIATOR OF $i(BACILLUS) PESTICIDAL ACTIVITY ABBOTT LABORATORIES (US) 1995-09-13 EP claimed
WO-1994009630-A1 POTENTIATOR OF BACILLUS PESTICIDAL ACTIVITY NOVO NORDISK ENTOTECH, INC. (US) 1994-05-11 WO claimed
EP-0546390-A1 Device for creatinine determination Bayer Corporation (US) 1993-06-16 EP claimed

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-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS MCOLN1, PYM1, MCOLN2 CYP3A4 554/4885SMN1; SMN2 1090/4885TSHR 3719/4885

“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.