SCHEMBL1985000

SCHEMBL1985000

CCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.65
CHRNA4 P43681 2/20 0.65
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAOB P27338 1/20 0.52
GRM5 P41594 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL31037156 1.00 CHRNB2 (0.65) CHRNB2CHRNA4KEAP1NFE2L2MEN1
Ammonia Solution, Strong SCHEMBL3031537 0.98 CHRNB2 (0.63) CHRNB2CHRNA4KEAP1NFE2L2MEN1
Cyanide SCHEMBL27784387 0.95 CHRNB2 (0.60) CHRNB2CHRNA4KEAP1NFE2L2MEN1
SCHEMBL1008449 0.87 CHRNB2 (0.58) CHRNB2CHRNA4KEAP1NFE2L2MEN1
SCHEMBL2374109 0.86 CHRNB2 (0.70) CHRNB2CHRNA4MEN1KMT2AMAPT
SCHEMBL29547480 0.85 CHRNB2 (0.65) CHRNB2CHRNA4KEAP1NFE2L2MEN1
SCHEMBL15498199 0.85 CHRNB2 (0.73) CHRNB2CHRNA4MEN1KMT2AMAPT
SCHEMBL16178929 0.85 CHRNB2 (0.64) CHRNB2CHRNA4MAPTLMNATSHR
SCHEMBL17905717 0.85 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2AMAPT
SCHEMBL9795648 0.84 CHRNB2 (0.63) CHRNB2CHRNA4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037303-B2 Method for preparing diaryl p-phenylenediamine compounds SENNICS CO., LTD. (CN) 2024-07-16 US claimed
US-20240076264-A1 METHOD FOR PREPARING DIARYL P-PHENYLENEDIAMINE COMPOUNDS SENNICS CO., LTD. (CN) 2024-03-07 US claimed
CN-1539821-A Molecule material of teera aryl aether pentacites 复旦大学 2004-10-27 CN claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-12037303-B2 Method for preparing diaryl p-phenylenediamine compounds SENNICS CO., LTD. (CN) 2024-07-16 US disclosed
US-20240076264-A1 METHOD FOR PREPARING DIARYL P-PHENYLENEDIAMINE COMPOUNDS SENNICS CO., LTD. (CN) 2024-03-07 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2020-05-28 US disclosed
US-10632118-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-28 US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 EP disclosed
US-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-01-25 US disclosed
US-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-01-25 US disclosed
WO-2000013794-A1 POLYMERIC SUPPORTED CATALYST COMPRISING A WATER-SOLUBLE TRANSITION METAL COMPLEX BASF AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed
EP-0518151-B1 Process for the preparation of nitrophenyl-alkylethers BAYER AG (DE) 1995-09-06 EP disclosed
US-5399773-A Process for the preparation of nitrophenyl alkyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
EP-0518151-A1 Process for the preparation of nitrophenyl-alkylethers BAYER AG (DE) 1992-12-16 EP disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed
US-4127728-A FRIEDEL-CRAFTS CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 US disclosed
US-3963698-A Alkylations employing in situ generation of diazoalkane alkylation reagents MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1976-06-15 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 (5 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-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 CHRNB2 275/4885CHRNA4 99/4885KEAP1 3193/4885
US-10632118-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 CHRNB2 275/4885CHRNA4 99/4885KEAP1 3193/4885
US-20240076264-A1 METHOD FOR PREPARING DIARYL P-PHENYLENEDIAMINE COMPOUNDS C9, C1S, CCND2 CHRNB2 2058/4885CHRNA4 2205/4885KEAP1 242/4885
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 CHRNB2 275/4885CHRNA4 99/4885KEAP1 3193/4885
US-12037303-B2 Method for preparing diaryl p-phenylenediamine compounds C9, C1S, CCND2 CHRNB2 2058/4885CHRNA4 2205/4885KEAP1 242/4885

“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.