SCHEMBL204345

SCHEMBL204345

Cc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NOS3 P29474 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 4/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.42

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
SCHEMBL29674727 1.00 NOS2 (0.50) NOS2ALDH1A1NOS3TDP1MAPT
SCHEMBL14889018 0.84 FKBP5 (0.43) NOS2ALDH1A1NOS3TDP1MAPT
SCHEMBL3688848 0.80 MAPT (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL30197316 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL843559 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL18131092 0.79 SMN1; SMN2 (0.50) NOS2ALDH1A1NOS3TDP1MAPT
SCHEMBL8568773 0.78 MAPT (0.46) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL27851817 0.78 ALDH1A1 (0.52) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL29871162 0.78 MEN1 (0.54) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL5145767 0.78 MAPT (0.47) NOS2ALDH1A1NOS3MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102952068-A Synthesis method for Nevirapine intermediates SHANGHAI SIXIE CHEMICAL TECHNOLOGY CO LTD 2013-03-06 CN claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
CN-1284773-C Ortho-pyridinequinone derivative, composite containing said derivative, its preparation method and application BAIRUI GLOBAL CO LTD (VG) 2006-11-15 CN claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
CN-1477099-A O-pyridinoquinone derivative, composition containing the same, preparation method and use of the same 百瑞全球有限公司 2004-02-25 CN claimed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US claimed
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 US disclosed
WO-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 WO disclosed
EP-4090661-B1 QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR GRUENENTHAL GMBH (DE) 2025-03-12 EP disclosed
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN disclosed
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-03-14 US disclosed
CN-1059723-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 CN disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
EP-0399731-A1 Azaindenes ZENECA LIMITED (GB) 1990-11-28 EP disclosed
EP-0137524-B1 HAIR DYEING COMPOSITIONS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1988-01-20 EP disclosed
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 US disclosed
EP-0137524-A1 Hair dyeing compositions RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-04-17 EP disclosed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 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 (4 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS NOS2 4295/4885ALDH1A1 4287/4885NOS3 3956/4885
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES NOS2 113/4885ALDH1A1 483/4885NOS3 224/4885
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS NOS2 4295/4885ALDH1A1 4287/4885NOS3 3956/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS NOS2 4295/4885ALDH1A1 4287/4885NOS3 3956/4885

“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.