SCHEMBL3974607

SCHEMBL3974607

[CH2]c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 13/20 0.56
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46

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
SCHEMBL3295597 0.83 TSHR (0.64) VCAM1HSD17B10TDP1TSHRMAPK1
SCHEMBL5178027 0.80 TSHR (0.56) HSD17B10TDP1TSHRMAPK1
SCHEMBL22092693 0.79 DHFR (0.47) VCAM1TSHRMAPK1
SCHEMBL29394047 0.78 MAPK1 (0.69) VCAM1TDP1TSHRMAPK1
SCHEMBL358730 0.78 MAPK1 (0.69) VCAM1TDP1TSHRMAPK1
SCHEMBL5992360 0.78 VCAM1 (0.60) VCAM1TDP1TSHRMAPK1
SCHEMBL5861079 0.78 VCAM1 (0.55) VCAM1TDP1TSHRMAPK1NPBWR1
SCHEMBL30387572 0.78 VCAM1 (0.55) VCAM1TDP1TSHRMAPK1NPBWR1
Dinitrochlorobenzene SCHEMBL39251 0.77 HSD17B10 (0.69) VCAM1HSD17B10TDP1TSHRMAPK1
Dinitrochlorobenzene SCHEMBL20472381 0.77 HSD17B10 (0.69) VCAM1HSD17B10TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105126909-A Application of immobilized palladium catalyst in synthesis of methyl 4-phenylethynyl-3-nitrobenzoate HUAIHAI INST TECHNOLOGY 2015-12-09 — — CN claimed
JP-2002530421-A — — 2002-09-17 — — JP claimed
CN-1328566-A Acetal benzylmaltosides as inhibitors of smooth muscle cell proliferation AMERICAN HOME PROD (US) 2001-12-26 — — CN claimed
EP-1133509-A1 ACETAL BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-19 — — EP claimed
EP-1133510-A2 ACYLATED BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-19 — — EP claimed
WO-2000034295-A2 ACYLATED BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO claimed
WO-2000031096-A1 ACETAL BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-02 — — WO claimed
EP-0668854-B1 USE OF N-ARYLMETHYLENE, ETHYLENEDIAMINETRIACETATES N-ARYLMETHYLENE IMINODIACETATES OR N,N'-DIARYLMETHYLENE ETHYLENEDIAMINACETATES FOR USE IN COMBATTING OXIDATIVE STRESS OREAL (FR) 1999-10-13 — — EP claimed
EP-0668854-A1 USE OF N-ARYLMETHYLENE, ETHYLENEDIAMINETRIACETATES N-ARYLMETHYLENE IMINODIACENTATES OR N, N'-DIARYLMETHYLENE ETHYLENEDIAMINACETATES FOR USE IN COMBATTING OXIDATIVE STRESS L'OREAL (FR) 1995-08-30 — — EP claimed
WO-1994011338-A1 USE OF N-ARYLMETHYLENE, ETHYLENEDIAMINETRIACETATES N-ARYLMETHYLENE IMINODIACENTATES OR N, N'-DIARYLMETHYLENE ETHYLENEDIAMINACETATES FOR USE IN COMBATTING OXIDATIVE STRESS L'OREAL (FR) 1994-05-26 — — WO claimed
EP-0128563-B1 IMPROVED ANTIFOGGANT PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-04 — — EP claimed
EP-0045570-B1 USE OF ORGANIC HALOGEN COMPOUNDS TO REDUCE OR PREVENT FOG IN NEGATIVE-WORKING SILVER HALIDE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-28 — — EP claimed
US-4243405-A HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-06 — — US claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO disclosed
CN-105837493-B The synthetic method and its intermediate of Nintedanib 东南大学 2018-12-14 — — CN disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 — — US disclosed
EP-0212822-A1 A composition containing a plant growth regulator and an alkanol and a method of using the same ICI AMERICAS INC. (US) 1987-03-04 — — EP disclosed
US-4605747-A FUNGICIDES; PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-12 — — US disclosed
US-4243405-A HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-06 — — US disclosed
EP-0001682-A2 Heterocyclic compounds and their use as pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-02 — — 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR VCAM1 4747/4885HSD17B10 417/4885TDP1 2264/4885

“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.

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