SCHEMBL1067704

SCHEMBL1067704

O=[N+]([O-])c1cccc(CO)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 5/20 0.50
GPR35 Q9HC97 2/20 0.48
CA12 O43570 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.40

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
SCHEMBL28663049 0.86 ALDH1A1 (0.53) ALDH1A1TSHRTDP1GPR35CA12
SCHEMBL28357039 0.83 TDP1 (0.57) ALDH1A1TSHRTDP1GPR35CA12
SCHEMBL11189712 0.83 ALDH1A1 (0.53) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL14907881 0.83 ALDH1A1 (0.53) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL11693636 0.83 ALDH1A1 (0.69) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL29126640 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL843884 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL10679746 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL3962914 0.81 CYP1A2 (0.51) ALDH1A1TSHRTDP1GPR35NPC1
SCHEMBL9780752 0.81 NPC1 (0.48) ALDH1A1TSHRTDP1GPR35NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101935281-A Method for preparing m-nitrochlorobenzene, o-nitrochlorobenzene and p-nitrochlorobenzene by using nitrochlorobenzene meta-position oil SHAOYANG CITY SHENQIANG CHEMICAL CO LTD 2011-01-05 CN claimed
CN-115594592-B Preparation method and application of 2-chloro-3-nitrobenzoic acid 江西天宇化工有限公司 2024-03-19 CN disclosed
CN-115594592-A Preparation method and application of 2-chloro-3-nitrobenzoic acid 江西天宇化工有限公司(CN) 2023-01-13 CN disclosed
CN-104511476-B A method of accelerating organic contaminants in soil oxidative degradation 江苏迈克环境工程有限公司 2019-05-31 CN disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
WO-2017160552-A1 DOPAMINE D3 RECEPTOR SELECTIVE ANTAGONISTS/PARTIAL AGONISTS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-09-21 WO disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
CN-1023011-C Herbicide composition containing pyrazole derivative NISSAN CHEMICAL IND LTD (JP) 1993-12-08 CN disclosed
US-5175299-A Benzoic acid derivatives useful as intermediates for the preparation of herbicidal 4-benzoylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-5143915-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1992-09-01 US disclosed
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
US-4885022-A Herbicidal pyrazole derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-05 US disclosed
CN-88101455-A Pyrazole derivatives and herbicides containing the same 1988-09-28 CN disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 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 (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-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases RORB, RORC, RORA ALDH1A1 1045/4885TSHR 95/4885TDP1 4569/4885

“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.