SCHEMBL690829

SCHEMBL690829

CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.78
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
GALR3 O60755 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL15851029 0.93 GPR35 (0.68) GPR35MEN1KMT2AHTTGALR3
SCHEMBL1600086 0.90 GPR35 (0.65) GPR35MEN1KMT2AHTTGALR3
SCHEMBL397532 0.89 GPR35 (0.62) GPR35MEN1KMT2AHTTGALR3
SCHEMBL19497421 0.88 GPR35 (0.78) GPR35MEN1KMT2AHTTGALR3
SCHEMBL69563 0.88 GPR35 (1.00) GPR35MEN1KMT2AHTTGALR3
SCHEMBL1600191 0.87 GPR35 (0.61) GPR35MEN1KMT2AHTTGALR3
SCHEMBL5732555 0.87 GPR35 (0.61) GPR35MEN1KMT2AHTTGALR3
SCHEMBL70416 0.86 GPR35 (0.59) GPR35MEN1KMT2AHTTGALR3
SCHEMBL690372 0.84 ERN1 (0.59) GPR35XDH
SCHEMBL1600577 0.84 GPR35 (0.57) GPR35MEN1KMT2AHTTGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114480295-A Hybridoma cell strain capable of secreting butralin-resistant monoclonal antibody and application thereof 江南大学 2022-05-13 CN claimed
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP claimed
US-4395572-A Process for preparing N-alkyl-nitroanilines UNION CARBIDE CORPORATION (US) 1983-07-26 US claimed
US-4289907-A Process for preparing N-alkyl-nitroanilines UNION CARBIDE CORPORATION (US) 1981-09-15 US claimed
US-20250250229-A1 ARYLTHIO DERIVATIVES WITH PHARMACOLOGICAL ACTIVITY IRIDEA S.R.L. (IT) 2025-08-07 US disclosed
CN-120060157-A Hybridoma cell strain secreting tervelol monoclonal antibody and application thereof 江南大学 2025-05-30 CN disclosed
WO-2024190869-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF デンカ株式会社 2024-09-19 WO disclosed
CN-114480295-B Hybridoma cell strain secreting anti-butralin monoclonal antibody and application thereof 江南大学 2023-08-22 CN disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
EP-3440073-B1 KINASE INHIBITORS OXULAR ACQUISITIONS LTD (GB) 2022-06-08 EP disclosed
CN-114480295-A Hybridoma cell strain capable of secreting butralin-resistant monoclonal antibody and application thereof 江南大学 2022-05-13 CN disclosed
US-20220032279-A1 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2022-02-03 US disclosed
US-5777168-A Process for producing N-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1998-07-07 US disclosed
US-5689006-A Process for producing n-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1997-11-18 US disclosed
US-5663441-A Production of mono-N-alkyl-dinitroalkylanilines and N-alkyl-dinitroaniline derivatives SRM CHEMICAL, LTD. CO. (US) 1997-09-02 US disclosed
WO-1997001527-A1 PRODUCTION OF MONO-N-ALKYL-DINITROALKYLANILINES AND N-ALKYL-DINITROANILINE DERIVATIVES SYNTECH LTD. CO. (US) 1997-01-16 WO disclosed
US-4395572-A Process for preparing N-alkyl-nitroanilines UNION CARBIDE CORPORATION (US) 1983-07-26 US disclosed
US-4289907-A Process for preparing N-alkyl-nitroanilines UNION CARBIDE CORPORATION (US) 1981-09-15 US disclosed
US-4077795-A 2,4-DINITROANILINE DERIVATIVES UNION CARBIDE CORPORATION (US) 1978-03-07 US disclosed
US-3991116-A HERBICIDES AND PISCICIDES AMCHEM PRODUCTS, INC. (US) 1976-11-09 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-20250250229-A1 ARYLTHIO DERIVATIVES WITH PHARMACOLOGICAL ACTIVITY FPR1, FPR3, FPR2 GPR35 161/4885MEN1 4835/4885KMT2A 4436/4885

“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.