SCHEMBL1403645

SCHEMBL1403645

O=C(O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.61
P4HA1 P13674 1/20 0.52
MIF P14174 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C19 P33261 1/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
SLC2A1 P11166 1/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SRD5A2 P31213 1/20 0.47
AGTR1 P30556 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL9098551 1.00 P4HTM (0.61) P4HTMP4HA1MIFTDP1CYP1A2
Hydrochloric Acid SCHEMBL28862169 0.98 P4HTM (0.60) P4HTMP4HA1MIFTDP1CYP1A2
SCHEMBL11410325 0.86 P4HTM (0.59) P4HTMP4HA1MIFTDP1CYP1A2
SCHEMBL6163873 0.83 CYP1A2 (0.58) P4HTMCYP1A2GAAALDH1A1KDM4E
SCHEMBL41111 0.83 ADRA2A (0.56) P4HTMCYP1A2GAAALDH1A1CYP2C19
SCHEMBL5326143 0.83 ALDH1A1 (0.53) P4HTMTDP1CYP1A2GAAALDH1A1
SCHEMBL11632125 0.82 P4HTM (0.56) P4HTMP4HA1MIFTDP1CYP1A2
SCHEMBL11410824 0.82 MEN1 (0.57) P4HTMTDP1ALDH1A1KDM4EMAPT
SCHEMBL11632758 0.82 P4HTM (0.56) P4HTMP4HA1MIFTDP1CYP1A2
Methane SCHEMBL28217937 0.81 ADRA2A (0.54) P4HTMCYP1A2GAAALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 US claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 EP claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 EP claimed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 WO claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-12616674-B2 Anti-fibrotic NEU3 inhibitor compounds and methods of use THE TEXAS A&M UNIVERSITY SYSTEM (US) 2026-05-05 US disclosed
US-20260116887-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2026-04-30 US disclosed
EP-4731306-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2026-04-29 EP disclosed
US-12606544-B2 JAK1 selective kinase inhibitor DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2026-04-21 US disclosed
US-12595249-B2 Aryl ether-substituted heterocyclic compounds as glpir agonists MINDRANK AI LTD. (CN) 2026-04-07 US disclosed
US-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 US disclosed
CN-85107182-A Process for preparing monoamide derivatives of ethylenediamine 1987-04-08 CN disclosed
EP-0053789-B1 2-PYRIDINECARBOXAMIDE DERIVATIVE, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION, USEFUL AS AN ANTI-ALLERGIC AGENT Tanabe Seiyaku Co., Ltd. (JP) 1985-03-27 EP disclosed
US-4404214-A 2-Pyridinecarboxamide derivatives compositions containing same and method of using same TANABE SEIYAKU CO., LTD. (JP) 1983-09-13 US disclosed
EP-0053789-A1 2-Pyridinecarboxamide derivative, process for preparing same and pharmaceutical composition, useful as an anti-allergic agent Tanabe Seiyaku Co., Ltd. (JP) 1982-06-16 EP 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-12595249-B2 Aryl ether-substituted heterocyclic compounds as glpir agonists GLP1R, GIPR, GCGR P4HTM 1761/4885P4HA1 1023/4885MIF 4115/4885
US-20260116887-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY TYK2, JAK2, JAK1 P4HTM 2536/4885P4HA1 2764/4885MIF 3179/4885
US-12606544-B2 JAK1 selective kinase inhibitor JAK1, JAK2, JAK3 P4HTM 4068/4885P4HA1 1427/4885MIF 4014/4885
US-12616674-B2 Anti-fibrotic NEU3 inhibitor compounds and methods of use NEU3, NEU2, NEU1 P4HTM 1984/4885P4HA1 921/4885MIF 865/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH P4HTM 257/4885P4HA1 167/4885MIF 4264/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH P4HTM 296/4885P4HA1 258/4885MIF 2844/4885

“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.