SCHEMBL2555263

SCHEMBL2555263

Cc1ncc([N+](=O)[O-])n1CCOS(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.78
▸ CA2 P00918 5/20 0.78
▸ CA9 Q16790 5/20 0.78
▸ CA12 O43570 4/20 0.78
▸ LMNA P02545 4/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ GLA P06280 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ KMT2A Q03164 1/20 0.57
▸ KDR P35968 1/20 0.53
▸ GUSB P08236 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ EGFR P00533 3/20 0.51
▸ ERBB2 P04626 3/20 0.51

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
SCHEMBL15325008 0.88 CA1 (1.00) CA1CA2CA9CA12LMNA
SCHEMBL9232636 0.83 CA1 (0.70) CA1CA2CA9CA12LMNA
SCHEMBL13849447 0.82 CA1 (0.68) CA1CA2CA9CA12LMNA
SCHEMBL9232639 0.82 CA1 (0.68) CA1CA2CA9CA12LMNA
SCHEMBL11826091 0.82 CA1 (0.55) CA1CA2CA9CA12LMNA
SCHEMBL9232630 0.81 CA1 (0.67) CA1CA2CA9CA12LMNA
SCHEMBL11581585 0.81 CA1 (0.76) CA1CA2CA9CA12LMNA
SCHEMBL11834463 0.80 CA1 (0.53) CA1CA2CA9CA12LMNA
SCHEMBL31018735 0.80 CA1 (0.65) CA1CA2CA9CA12LMNA
SCHEMBL11579155 0.80 LMNA (0.89) CA1CA2CA9CA12LMNA

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
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 — — US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 — — US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 — — US disclosed
EP-3010345-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS The Regents of The University of California (US) 2016-04-27 — — EP disclosed
WO-2014205414-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-24 — — WO disclosed
WO-2014205414-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-24 — — WO disclosed
US-20130096123-A1 RADIATION SENSITISER COMPOSITIONS EUPHARMA PTY LTD (AU) 2013-04-18 — — US disclosed
EP-2558090-A1 RADIATION SENSITISER COMPOSITIONS Eupharma Pty Ltd (AU) 2013-02-20 — — EP disclosed
EP-2495563-A1 DIAGNOSTIC AGENT FOR INFECTIOUS DISEASES Fujifilm RI Pharma Co., Ltd. (JP) 2012-09-05 — — EP disclosed
US-20120219500-A1 DIAGNOSTIC AGENT FOR INFECTIOUS DISEASES FUJIFILM RI PHARMA CO., LTD. (JP) 2012-08-30 — — US disclosed
CN-101486707-A 2-methyl-5-nitro glyoxaline compound, preparation and use thereof UNIV BEIJING NORMAL (CN) 2009-07-22 — — CN disclosed
US-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 — — US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 — — EP disclosed
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 — — EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 — — WO disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 — — US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 — — EP disclosed
US-4193979-A Sodium 3-[[[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-amino]carbonyl]-2-pyridinecarboxylic acid and related compounds labeled with technetium-99m G. D. SEARLE & CO. (US) 1980-03-18 — — US disclosed
US-3997572-A N-[2-(nitro-1-imidazolyl)ethyl]naphthal imides G. D. SEARLE & CO. (US) 1976-12-14 — — US disclosed
US-3962274-A 1-AZIDOALKYLIMIDAZOLES G. D. SEARLE & CO. (US) 1976-06-08 — — 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO CA1 4847/4885CA2 4271/4885CA9 4167/4885
US-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK CA1 4818/4885CA2 4569/4885CA9 4411/4885
US-20120219500-A1 DIAGNOSTIC AGENT FOR INFECTIOUS DISEASES NISCH, CNDP2, MYADM CA1 3891/4885CA2 2962/4885CA9 1490/4885

“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.

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