SCHEMBL4685683

SCHEMBL4685683

Cc1cc[nH]c(=O)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 4/20 0.46
GRIN2D O15399 6/20 0.41
GRIN3B O60391 6/20 0.41
GRIN1 Q05586 6/20 0.41
GRIN2A Q12879 6/20 0.41
GRIN2B Q13224 6/20 0.41
GRIN2C Q14957 6/20 0.41
GRIN3A Q8TCU5 6/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2263267 0.80 ALDH1A1 (0.53) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL15830721 0.79 TSHR (0.46) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL1545421 0.78 ALDH1A1 (0.53) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL4166359 0.77 MAPT (0.44) ALDH1A1TDP1TSHRCYP3A4KDM4E
SCHEMBL563719 0.76 GPR35 (0.46) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL5360919 0.76 ALDH1A1 (0.43) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL2571514 0.76 ALDH1A1 (0.43) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL4427648 0.73 ALDH1A1 (0.71) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL27257326 0.72
SCHEMBL6537796 0.72 CCR8 (0.53) ALDH1A1TDP1TSHRGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218211-A A kind of simple and convenient process for preparing of nevirapine 新发药业有限公司 2019-09-10 CN claimed
CN-118754847-A Convenient synthesis method of N-alkyl substituted pyridone compound 南通大学 2024-10-11 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
CN-112313231-B OGA inhibitor compounds 詹森药业有限公司 2023-05-09 CN disclosed
CN-112313212-B OGA inhibitor compounds 詹森药业有限公司 2023-05-05 CN disclosed
EP-3810608-B1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-08-10 EP disclosed
CN-105793254-B Azaquinazoline carboxamide derivatives 默克专利有限公司 2020-10-23 CN disclosed
EP-2925747-B1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-24 EP disclosed
CN-110218211-B Simple preparation method of nevirapine 新发药业有限公司 2020-06-23 CN disclosed
CN-110218211-B Simple preparation method of nevirapine 新发药业有限公司 2020-06-23 CN disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO disclosed
CN-1050183-A New N-aryl and N-heteroaryl amide and urea derivatives as acyl-coenzyme a cholesterol acyltransferase (ACAT) inhibitor PFIZER (US) 1991-03-27 CN disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 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 (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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885TDP1 1942/4885TSHR 4669/4885

“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.