SCHEMBL196663

SCHEMBL196663

Cc1c[c]cc(C)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 8/20 0.43
HSD17B10 Q99714 2/20 0.38
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 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
SCHEMBL27664795 0.87 TSHR (0.52) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL27788576 0.80 ALDH1A1 (0.38) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL456292 0.75 TSHR (0.50) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL1820951 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TSHRHSD17B10ACHE
SCHEMBL635089 0.72 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHSD17B10ACHE
SCHEMBL57836 0.72 TSHR (0.40) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL28006835 0.72 HSD17B10 (0.41) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL27631150 0.72 CYP1A2 (0.48) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL458217 0.71 POLB (0.41) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL4427648 0.70 ALDH1A1 (0.71) ALDH1A1TDP1TSHRHSD17B10ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
JP-2012500216-A 2012-01-05 JP claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP claimed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP claimed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO claimed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed
EP-3339286-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
EP-2427426-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-07 EP disclosed
EP-1163226-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-12-19 EP disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
WO-2000042018-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ALDH1A1 449/4885TDP1 1293/4885TSHR 1312/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885TDP1 1448/4885TSHR 3540/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ALDH1A1 449/4885TDP1 1293/4885TSHR 1312/4885

“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.