SCHEMBL55225

SCHEMBL55225

O=[C]c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 1/20 0.42
S100A4 P26447 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTPRC P08575 1/20 0.38
ERN1 O75460 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL11594465 0.87 ALDH1A1 (0.48) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL7096672 0.83 GPR35 (0.38) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL622040 0.82 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL9759846 0.82 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL7295438 0.82 TSHR (0.42) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL25310 0.81 HSD17B10 (0.50) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.80 TSHR (0.71) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL118464 0.80 TSHR (0.71) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL3345170 0.80 TDP1 (0.48) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL6212223 0.79 ALDH1A1 (0.47) GPR35TSHRTDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121615-B Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2023-02-17 CN claimed
CN-113121615-A Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2021-07-16 CN claimed
CN-108727444-B Synthesis method of morphine-6-beta-D-glucuronide and intermediate compound thereof 宜昌人福药业有限责任公司 2020-10-23 CN claimed
CN-108727444-A The synthetic method and its midbody compound of morphine -6- β-D-Glucose aldehydic acid glycosides 宜昌人福药业有限责任公司 2018-11-02 CN claimed
US-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US claimed
CN-105592851-A Novel synthesis routes for prostaglandins and prostaglandin intermediates using metathesis PATHEON API SERVICES INC 2016-05-18 CN claimed
WO-2015048736-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS IRIX PHARMACEUTICALS, INC. (US) 2015-04-02 WO claimed
WO-2014144073-A2 AUGMENTING MOIETIES FOR ANTI-INFLAMMATORY COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-09-18 WO claimed
WO-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 WO claimed
US-7884088-B2 biocompatible oligomers such as oligochitin, oligochitosan in solvent such as dimethylsulfoxide, admixing pi complex; for drug detoxification UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-08 US claimed
EP-0080301-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1988-08-24 EP claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
US-4717418-A CEREAL SELECTIVE HERBICIDES ICI AUSTRALIA LIMITED (AU) 1988-01-05 US claimed
EP-0082694-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1986-07-16 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
US-4578469-A COUMARIN DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-25 US claimed
EP-0082694-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-29 EP claimed
EP-0080301-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP claimed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US 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-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PTGES, PTGIS, PTGES2 GPR35 2581/4885TSHR 3459/4885TDP1 4652/4885

“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.