SCHEMBL681694

SCHEMBL681694

CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 1/20 0.62
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ACHE P22303 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL30096036 1.00 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL30543046 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL6679612 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL30543045 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL124981 0.87 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL29437308 0.87 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL3202573 0.87 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHSD17B10MEN1
Ammonia Solution, Strong SCHEMBL8748291 0.86 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL2244893 0.86 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL31540626 0.85 ALDH1A1 (0.64) ALDH1A1TSHRHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109910234-B Pneumatic triple device in environment-friendly raw material production equipment 南京晓庄学院 2020-12-25 CN claimed
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 CN claimed
CN-106995374-A Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2017-08-01 CN claimed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-08-01 US disclosed
CN-115851778-A Thermophilic alkene reductase from aspergillus flavus, expression vector and application thereof 河南工业大学 2023-03-28 CN disclosed
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-12-22 US disclosed
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-09-27 US disclosed
US-20200377446-A1 METHOD FOR MANUFACTURING AROMATIC AZO COMPOUND FUJIFILM CORPORATION (JP) 2020-12-03 US disclosed
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-09-24 US disclosed
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 CN disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed
CN-1028522-C Condensation method of N-phenyl carbamate MITSUI PETROCHEMICAL IND (JP) 1995-05-24 CN disclosed
EP-0450995-B1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL SA (FR) 1994-06-08 EP disclosed
US-5236947-A Side effect reduction JOUVEINAL S.A. (FR) 1993-08-17 US disclosed
US-5143938-A PROPANAMINES, THEIR PHARMACOLOGICAL PROPERTIES AND THEIR APPLICATION FOR THERAPEUTIC IN PARTICULAR ANTIDIARRHEAL, PURPOSES JOUVEINAL S.A. (FR) 1992-09-01 US disclosed
EP-0450995-A1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL S.A. (FR) 1991-10-09 EP disclosed
CN-1050378-A The method of condensing of N-phenylcarbamate MITSUI PETROCHEMICAL IND (JP) 1991-04-03 CN disclosed
EP-0385010-A1 N-alkyl-N-(Aminophenylsulfonyl)-aminoalkylphosphonic acids and salts CROMPTON & KNOWLES CORPORATION (US) 1990-09-05 EP disclosed
US-4851158-A N-alkyl-N-(aminophenylsulfonyl)-aminoalkylphosphonic acids CROMPTON & KNOWLES CORPORATION (US) 1989-07-25 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-20200377446-A1 METHOD FOR MANUFACTURING AROMATIC AZO COMPOUND CYP4X1, ALDOA, PAH ALDH1A1 112/4885TSHR 4517/4885HPGD 796/4885
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst ARG2, NDUFS5, NDUFS7 ALDH1A1 2712/4885TSHR 2114/4885HPGD 527/4885
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST ARG2, NDUFS5, NDUFS7 ALDH1A1 2712/4885TSHR 2114/4885HPGD 527/4885
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction ARG2, NOS2, NDUFS7 ALDH1A1 2798/4885TSHR 831/4885HPGD 403/4885
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION ARG2, NOS2, NDUFS7 ALDH1A1 2798/4885TSHR 831/4885HPGD 403/4885

“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.