SCHEMBL1068675

SCHEMBL1068675

N#Cc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.59
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 1/20 0.58
KAT2B Q92831 1/20 0.48
MAPT P10636 6/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MERTK Q12866 2/20 0.43
SIRT6 Q8N6T7 1/20 0.43

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
SCHEMBL31715931 1.00 VCAM1 (0.59) VCAM1TDP1TSHRKAT2BMAPT
SCHEMBL203082 0.85 VCAM1 (0.64) VCAM1TDP1TSHRKAT2BMAPT
SCHEMBL29217568 0.83 TDP1 (0.60) VCAM1TDP1TSHRMAPTRECQL
SCHEMBL20982786 0.82 MERTK (0.56) VCAM1TDP1TSHRKAT2BMAPT
SCHEMBL4477143 0.82 VCAM1 (0.70) VCAM1TDP1TSHRKAT2BMAPT
2-Nitroaniline SCHEMBL7033834 0.82 VCAM1 (0.55) VCAM1TDP1TSHRKAT2BMAPT
SCHEMBL4385438 0.79 VCAM1 (0.61) VCAM1TDP1KAT2BMAPTALDH1A1
SCHEMBL31176940 0.79 MAPT (0.49) VCAM1TDP1TSHRMAPTLMNA
SCHEMBL20982744 0.79 MAPT (0.49) VCAM1TDP1TSHRMAPTLMNA
SCHEMBL18789074 0.79 TDP1 (0.59) TDP1TSHRMAPTRECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651801-A Fluorescent probe for selectively identifying fluorine ions and preparation method thereof 长春工业大学 2021-11-16 CN claimed
CN-116120190-B Method for preparing o-nitroaniline compound and application of o-nitroaniline compound 邵阳学院 2024-08-23 CN disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP disclosed
CN-116120190-A Method for preparing o-nitroaniline compound and application of o-nitroaniline compound 邵阳学院 2023-05-16 CN disclosed
CN-113651801-B Fluorescent probe for selectively identifying fluorine ions and preparation method thereof 长春工业大学 2022-10-28 CN disclosed
CN-114524770-B Bis-benzimidazole fluorescent dye, preparation method and application thereof 天津全和诚科技有限责任公司 2022-07-22 CN disclosed
CN-114524770-A Bis-benzimidazole fluorescent dye, preparation method and application thereof 天津全和诚科技有限责任公司 2022-05-24 CN disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
CN-113651801-A Fluorescent probe for selectively identifying fluorine ions and preparation method thereof 长春工业大学 2021-11-16 CN disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004085046-A2 METHOD FOR SELECTIVELY BINDING A SUBSTRATE TO SORBENTS BY WAY OF AT LEAST BIVALENT BONDS INSTRACTION GMBH (DE) 2004-10-07 WO disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed
WO-1999024395-A1 COMPOUNDS WHICH INHIBIT TRYPTASE ACTIVITY ARRAY BIOPHARMA, INC. (US) 1999-05-20 WO disclosed
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 EP disclosed
EP-0071035-B1 REACTIVE MONO-FUNCTIONAL BISAZO BLUE-BLACK DYE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-07 EP disclosed
US-4464297-A Fiber reactive bisazo dye having both a vinylsulfone type reactive group and an ortho-nitrophenyl group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-07 US disclosed
EP-0071035-A1 Reactive mono-functional bisazo blue-black dye SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-02-09 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 VCAM1 3236/4885TDP1 1112/4885TSHR 4139/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC VCAM1 4453/4885TDP1 4325/4885TSHR 4163/4885

“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.