SCHEMBL1897174

SCHEMBL1897174

COc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 4/20 0.54
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL30382526 1.00 ALDH1A1 (0.57) ALDH1A1MAPK1MAPTTSHRGAA
SCHEMBL6180876 0.90 MERTK (0.52) ALDH1A1MAPK1MAPTTSHRGAA
SCHEMBL6567485 0.89 PIN1 (0.52) ALDH1A1MAPK1MAPTGAAL3MBTL1
SCHEMBL178068 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1MAPTTSHRNPC1
SCHEMBL1662886 0.84 ALDH1A1 (0.65) ALDH1A1MAPK1MAPTTSHRNPC1
SCHEMBL30970189 0.83 MAPT (0.52) ALDH1A1MAPTTSHRGAAL3MBTL1
SCHEMBL11199415 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTGAAL3MBTL1
SCHEMBL14363505 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTGAAL3MBTL1
SCHEMBL10870559 0.81 MAPT (0.71) ALDH1A1MAPK1MAPTGAAL3MBTL1
SCHEMBL8746685 0.81 MAPT (0.62) ALDH1A1MAPTGAAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109305923-B Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2022-03-11 CN claimed
CN-109305924-B Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2022-01-04 CN claimed
CN-111470991-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-111468124-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-111470985-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-111470986-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-109305924-A A kind of synthetic method of aminobenzoic ethers compound 中国石油化工股份有限公司 2019-02-05 CN claimed
CN-109305923-A A kind of synthetic method of aminobenzoic ethers compound 中国石油化工股份有限公司 2019-02-05 CN claimed
CN-102718692-B Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2014-01-08 CN claimed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
CN-116116433-A Supported diatomic catalyst and preparation method and application thereof 西安理工大学 2023-05-16 CN disclosed
CN-109988093-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-04-07 CN disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
US-4299992-A Process for the selective hydroxymethylation of nitrotoluenes REANAL FINOMVEGYSZERGYAR (HU) 1981-11-10 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 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 (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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885MAPK1 1527/4885MAPT 2213/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885MAPK1 1527/4885MAPT 2213/4885

“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.