SCHEMBL545737

SCHEMBL545737

COC(=O)C(=[N+]=[N-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SRC P12931 1/20 0.42
CES1 P23141 5/20 0.40
CES2 O00748 3/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL13735831 0.90 SMN1; SMN2 (0.47) LMNAMAPTHPGDSMN1; SMN2MAPK1
SCHEMBL28366619 0.83 CA1 (0.52) TSHRKMT2AMAPTKDM4EMEN1
SCHEMBL15445138 0.83 TDP1 (0.52) CES1CES2KMT2ALMNAMAPT
SCHEMBL1702960 0.81 MEN1 (0.44) CES1CES2KMT2ALMNAMAPT
SCHEMBL14638933 0.81 CA1 (0.53) CES1CES2KMT2ALMNAMAPT
SCHEMBL926435 0.81 HPGD (0.44) TSHRCES1CES2KMT2ALMNA
SCHEMBL28366477 0.81 ALDH1A1 (0.42) KMT2ACYP3A4LMNAHPGDSMN1; SMN2
SCHEMBL27154482 0.81 RAB9A (0.44) TSHRCES1CES2KMT2ALMNA
SCHEMBL14638953 0.81 TPMT (0.41) MAPTKDM4EMAPK1TDP1ALDH1A1
SCHEMBL15999776 0.81 HDAC8 (0.49) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375771-A Preparation method of chiral iron complex 浙江九洲药业股份有限公司 2023-07-04 CN claimed
CN-114067923-A Screening method for Lewis acid catalyzed diazo compound activation mode 郑州轻工业大学 2022-02-18 CN claimed
CN-113372258-A Indeno [1,2-b ] indole derivative and preparation method and application thereof 常州大学 2021-09-10 CN claimed
CN-111808003-A Preparation method of thioether 甘肃农业大学 2020-10-23 CN claimed
CN-110734441-B 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-09-04 CN claimed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 CN claimed
CN-103193662-A Method for preparing Beta-amino ester through copper-catalyzed three-component coupling reaction UNIV BEIJING SCIENCE & TECH 2013-07-10 CN claimed
CN-101423488-B Method for preparing dihydro pyrrole derivates UNIV EAST CHINA NORMAL 2010-06-23 CN claimed
CN-101423488-A Method for preparing dihydro pyrrole derivates UNIV EAST CHINA NORMAL (CN) 2009-05-06 CN claimed
CN-101417970-A Dihydropyrrole derivates and method for preparing intermediate pyrrolidine UNIV EAST CHINA NORMAL (CN) 2009-04-29 CN claimed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 US claimed
US-6025502-A CATALYTICALLY REACTING AN ARYL HYDRAZONE SUBSTITUTED ACETATE ESTER WITH A NITROGEN HETEROCYCLIC COMPOUND WHICH HAS THE NITROGEN PROTECTED, THEN DEPROTECTING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-02-15 US claimed
CN-115873047-B Chiral ferrocene P, N, N-ligand with side arm, synthesis method and application thereof 中国科学院大连化学物理研究所 2025-06-10 CN disclosed
CN-116082237-B Nitrogen-containing heterocyclic compound and preparation method thereof 安徽中医药大学 2025-04-22 CN disclosed
CN-116510786-B Binuclear gold catalyst and preparation method and application thereof 中山大学 2025-03-25 CN disclosed
CN-116496176-B Preparation method of polysubstituted spiro cyclopropane derivative 哈尔滨工业大学(深圳) 2024-11-15 CN disclosed
EP-1173278-A1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-01-23 EP disclosed
WO-2000064583-A1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-11-02 WO disclosed
US-6025502-A CATALYTICALLY REACTING AN ARYL HYDRAZONE SUBSTITUTED ACETATE ESTER WITH A NITROGEN HETEROCYCLIC COMPOUND WHICH HAS THE NITROGEN PROTECTED, THEN DEPROTECTING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-02-15 US disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 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 (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-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS TSHR 4034/4885SRC 2301/4885CES1 1298/4885

“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.