SCHEMBL622040

SCHEMBL622040

N#Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
TSHR P16473 2/20 0.53
VCAM1 P19320 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
MAPT P10636 2/20 0.41
GRM6 O15303 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
POLB P06746 2/20 0.40
S100A4 P26447 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40

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
Acetonitrile SCHEMBL28213010 0.95 TSHR (0.53) GPR35TSHRVCAM1TDP1ALDH1A1
SCHEMBL3237039 0.88 ALDH1A1 (0.46) GPR35TSHRVCAM1TDP1ALDH1A1
SCHEMBL27653030 0.82 VCAM1 (0.53) GPR35TSHRVCAM1TDP1ALDH1A1
SCHEMBL55225 0.82 GPR35 (0.55) GPR35TSHRTDP1ALDH1A1HPGD
SCHEMBL56638 0.82 VCAM1 (0.56) GPR35TSHRVCAM1TDP1ALDH1A1
SCHEMBL29382907 0.82 VCAM1 (0.56) GPR35TSHRVCAM1TDP1ALDH1A1
Water SCHEMBL27294140 0.81 TSHR (0.68) GPR35TSHRTDP1ALDH1A1HPGD
SCHEMBL30694393 0.81 VCAM1 (0.47) GPR35TSHRVCAM1TDP1ALDH1A1
SCHEMBL220318 0.81 VCAM1 (0.47) GPR35TSHRVCAM1TDP1ALDH1A1
SCHEMBL9759846 0.81 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099777-A1 METHOD OF UNDERWATER BONDING Henkel IP & Holding GmbH (DE) 2023-06-08 WO claimed
EP-3700950-A1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-09-02 EP claimed
WO-2018048882-A9 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-10 WO claimed
WO-2018048882-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-03-15 WO claimed
CN-1610469-A Organic electroluminescent device driven at low voltage SAMSUNG SDI CO LTD (KR) 2005-04-27 CN claimed
CN-1132869-C Polyester nitrile with lateral carboxylate group and its prepn UNIV SHANGHAI JIAOTONG (CN) 2003-12-31 CN claimed
CN-1221132-A Photoconductive composition and display device adopting photoconductive layer made thereof SAMSUNG DISPLAY DEVICES CO LTD (KR) 1999-06-30 CN claimed
US-5591378-A IN COMBINATION WITH PEROXYGEN SOURCE, FORMATION OF PEROXYIMIDIC ACID THE CLOROX COMPANY (US) 1997-01-07 US claimed
EP-0091383-B1 PROCESS FOR THE CATALYTIC REDUCTION OF NITRO-AROMATIC COMPOUNDS Montedison S.p.A. (IT) 1987-03-04 EP claimed
EP-0091383-A1 Process for the catalytic reduction of nitro-aromatic compounds Montedison S.p.A. (IT) 1983-10-12 EP claimed
JP-5339364-A None JP disclosed
JP-5137981-A None JP disclosed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
WO-2023099777-A1 METHOD OF UNDERWATER BONDING Henkel IP & Holding GmbH (DE) 2023-06-08 WO disclosed
EP-3941989-A1 CYANOACRYLATE ADHESIVE COMPOSITION Henkel AG & Co. KGaA (DE) 2022-01-26 EP disclosed
US-4640975-A DIHALOGENOBENZONITRILE AND ALKALI METAL SALT OF DIHYDROXYNAPNTHALENE IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-02-03 US disclosed
EP-0187638-A1 Polycyanoaryl ether and method of preparing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-07-16 EP disclosed
EP-0186153-A2 Process for preparing polycyanoaryl ether powder IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-07-02 EP disclosed
US-4504660-A Process for the production of 2,6-diaminobenzonitrile derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-12 US disclosed
EP-0091383-A1 Process for the catalytic reduction of nitro-aromatic compounds Montedison S.p.A. (IT) 1983-10-12 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-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 GPR35 4691/4885TSHR 1480/4885VCAM1 4394/4885

“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.