SCHEMBL50994

SCHEMBL50994

COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
ABCC4 O15439 1/20 0.49
PLIN1 O60240 1/20 0.49
CACNA1F O60840 1/20 0.49
GMNN O75496 1/20 0.49
KCNK2 O95069 1/20 0.49
ABCB11 O95342 1/20 0.49
GSR P00390 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL5863528 0.90 TSHR (0.64) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1612393 0.90 TSHR (0.51) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4415542 0.90 TSHR (0.64) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2598194 0.90 L3MBTL1 (0.59) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
Benzene SCHEMBL27561238 0.90 L3MBTL1 (0.59) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11398188 0.90 TDP1 (0.56) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9048708 0.89 TSHR (0.50) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5469003 0.89 TSHR (0.50) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9048699 0.89 L3MBTL1 (0.58) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4406921 0.89 TSHR (0.50) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836061-A Method for separating mixed acid 绍兴贝斯美化工股份有限公司 2023-10-03 CN claimed
CN-109970568-B Synthesis process of 3-amino dimethyl phthalate 扬州工业职业技术学院 2022-09-02 CN claimed
CN-110483304-A A kind of preparation method of 3- aminophthalic acid dimethyl ester YANGZHOU POLYTECHNIC INST 2019-11-22 CN claimed
CN-109999910-A A kind of carbon material supported sulfonated polyaniline of biology and its application as catalyst 扬州工业职业技术学院 2019-07-12 CN claimed
CN-109970568-A A kind of green synthesis process of 3- aminophthalic acid dimethyl ester 扬州工业职业技术学院 2019-07-05 CN claimed
US-10106550-B2 Aza-phenalene-3-ketone derivative, preparation method thereof, and its application as PARP inhibitor SUZHOU KANGRUN PHARMACEUTICALS INC. (CN) 2018-10-23 US claimed
US-20180134722-A1 AZA-PHENALENE-3-KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND ITS APPLICATION AS PARP INHIBITOR SUZHOU KANGRUN PHARMACEUTICALS INC. (CN) 2018-05-17 US claimed
EP-3305793-A1 DERIVATIVE OF NITROGEN-DOPED PHENALENE-3-KETONE, PREPARATION METHOD THEREFOR AND APPLICATION OF DERIVATIVE USED AS PARP INHIBITOR Suzhou Kangrun Pharmaceuticals, Inc. (CN) 2018-04-11 EP claimed
CN-104876877-B A kind of synthetic method of the carboxylate methyl ester of 2 ethoxybenzoimidazole 7 峨眉山宏昇药业股份有限公司 2018-03-09 CN claimed
CN-104945406-B Derivative, its preparation method and its application as PARP inhibitor of that non-ketone of alkene 3 of azepine 苏州康润医药有限公司 2017-10-10 CN claimed
CN-106631844-A Preparation method of dimethyl 3-aminophthalate 山东友帮生化科技有限公司 2017-05-10 CN claimed
CN-104945406-A Aza-phenalene-3-ketone derivative, preparation method thereof and application of aza-phenalene-3-ketone derivative as PARP inhibitor SUZHOU KANGRUN PHARMACEUTICALS INC 2015-09-30 CN claimed
CN-104876877-A Synthesis method of 2-ethoxy benzimidazole-7-carboxylic acid methyl ester EMEISHAN HONGSHENG PHARMACEUTICAL CO LTD 2015-09-02 CN claimed
CN-100390152-C Method for synthesizing 3-nitro or 3-amino phthalyl hydrazine JIAN PAN (CN) 2008-05-28 CN claimed
CN-1821230-A Method for synthesizing 3-nitro or 3-amino phthalyl hydrazine PAN JIAN (CN) 2006-08-23 CN claimed
CN-116836061-A Method for separating mixed acid 绍兴贝斯美化工股份有限公司 2023-10-03 CN disclosed
CN-109970568-B Synthesis process of 3-amino dimethyl phthalate 扬州工业职业技术学院 2022-09-02 CN disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed
US-4374979-A Regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1983-02-22 US disclosed
EP-0063945-A1 Process for the regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS (US) 1982-11-03 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-20180134722-A1 AZA-PHENALENE-3-KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND ITS APPLICATION AS PARP INHIBITOR PARP1, PARP11, PARP3 TSHR 4207/4885SMN1; SMN2 4340/4885KMT2A 111/4885
US-10106550-B2 Aza-phenalene-3-ketone derivative, preparation method thereof, and its application as PARP inhibitor PARP1, PARP11, PARP3 TSHR 4207/4885SMN1; SMN2 4340/4885KMT2A 111/4885

“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.