SCHEMBL667615

SCHEMBL667615

O=C(Cl)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 3/20 0.51
VCAM1 P19320 2/20 0.51
CASP6 P55212 1/20 0.50
LMNA P02545 1/20 0.46
PARP1 P09874 1/20 0.45
GPR35 Q9HC97 1/20 0.44
CES2 O00748 2/20 0.44
PDK1 Q15118 2/20 0.43
HCAR3 P49019 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES1 P23141 1/20 0.41

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
SCHEMBL11776639 0.88 PARP1 (0.61) ALDH1A1TSHRVCAM1CASP6LMNA
SCHEMBL9244559 0.85 ALDH1A1 (0.53) ALDH1A1TSHRVCAM1CASP6LMNA
SCHEMBL29492133 0.85 CASP6 (0.69) ALDH1A1TSHRVCAM1CASP6LMNA
SCHEMBL1966463 0.85 CASP6 (0.69) ALDH1A1TSHRVCAM1CASP6LMNA
SCHEMBL1661691 0.84 VCAM1 (0.59) ALDH1A1VCAM1LMNA
SCHEMBL11685716 0.84 VCAM1 (0.52) ALDH1A1TSHRVCAM1LMNA
SCHEMBL27979993 0.84 VCAM1 (0.60) ALDH1A1TSHRVCAM1CASP6LMNA
SCHEMBL3126462 0.81 CES2 (0.59) ALDH1A1TSHRGPR35CES2
SCHEMBL922714 0.81 VCAM1 (0.77) ALDH1A1VCAM1LMNA
SCHEMBL1663487 0.81 KCNMA1 (0.47) ALDH1A1TSHRVCAM1GPR35CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62007732-A None JP disclosed
CN-118290736-A Polyimide with high strength and high elongation at break as well as preparation method and application thereof 浙江大学 2024-07-05 CN disclosed
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
US-11680207-B2 Direct mapping of local director field of nematic liquid crystals at the nanoscale THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-06-20 US disclosed
US-20180244995-A1 DIRECT MAPPING OF LOCAL DIRECTOR FIELD OF NEMATIC LIQUID CRYSTALS AT THE NANOSCALE NATIONAL SCIENCE FOUNDATION 2018-08-30 US disclosed
US-8653297-B2 Solid acid, polymer electrolyte membrane including the same, and fuel cell using the polymer electrolyte membrane SAMSUNG SDI CO., LTD. (KR) 2014-02-18 US disclosed
CN-102702036-A Solid acid, polymer electrolyte membrane including the same, and fuel cell using the polymer electrolyte membrane SAMSUNG SDI CO LTD 2012-10-03 CN disclosed
CN-101161639-B Solid acid, polymer electrolyte membrane comprising the same, and fuel cell using the same SAMSUNG SDI CO LTD 2012-07-04 CN disclosed
US-20120045711-A1 SOLID ACID, POLYMER ELECTROLYTE MEMBRANE INCLUDING THE SAME, AND FUEL CELL USING THE POLYMER ELECTROLYTE MEMBRANE SAMSUNG SDI CO., LTD (KR) 2012-02-23 US disclosed
US-8049032-B2 Solid acid, polymer electrolyte membrane including the same, and fuel cell using the polymer electrolyte membrane SAMSUNG SDI CO., LTD. (KR) 2011-11-01 US disclosed
US-5612440-A POLYESTERS, POLYESTERURETHANES SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1997-03-18 US disclosed
US-5232471-A Membranes formed from nitrated polyarylates AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-08-03 US disclosed
EP-0311684-B1 TRANSFER MEDIUM FOR HEAT-SENSITIVE RECORDING TORAY INDUSTRIES, INC. (JP) 1993-03-10 EP disclosed
US-5030533-A Photoconductive imaging members with liquid crystalline thermotropic polymers XEROX CORPORATION (US) 1991-07-09 US disclosed
US-4849287-A AROMATIC POLYMIDE FILM CONTAINING CARBON BLACK TORAY INDUSTRIES (JP) 1989-07-18 US disclosed
EP-0311684-A1 TRANSFER MEDIUM FOR HEAT-SENSITIVE RECORDING TORAY INDUSTRIES, INC. (JP) 1989-04-19 EP disclosed
JP-S627732-A PRODUCTION OF WHOLLY AROMATIC POLYAMIDE CARRYING PENDANT PRIMARY AMINO GROUP TEIJIN LTD 1987-01-14 JP disclosed
US-4150019-A COLORFAST, HEAT RESISTANT, MIGRATION HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 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 (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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 ALDH1A1 2841/4885TSHR 4447/4885VCAM1 3380/4885

“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.