SCHEMBL2651614

SCHEMBL2651614

COC(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ TSHR P16473 2/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL29782139 1.00 HPGD (0.48) HPGDTSHRNPC1RAB9AMAPT
SCHEMBL14638925 0.86 TAS1R3 (0.38) HPGDNPC1RAB9AMAPTMEN1
SCHEMBL2653478 0.83 VCAM1 (0.39) HPGDTSHRMEN1KMT2AKDM4E
SCHEMBL926435 0.81 HPGD (0.44) HPGDTSHRNPC1RAB9AMAPT
SCHEMBL8017852 0.81 TSHR (0.53) HPGDTSHRNPC1RAB9AMAPT
SCHEMBL21804733 0.79 PARP1 (0.46) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL30031180 0.79 PARP1 (0.46) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL5961929 0.79 HPGD (0.43) HPGDTSHRNPC1RAB9AMAPT
SCHEMBL2647013 0.78 HPGD (0.54) HPGDTSHRNPC1RAB9AMAPT
SCHEMBL13734747 0.77 TSHR (0.56) HPGDTSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417738-B Photo-induced alpha-hydrofluorination method for diazoaryl ester compound 哈尔滨工业大学(深圳) 2023-10-03 — — CN claimed
CN-115417738-A Photoinduced diazoaryl ester compound alpha-hydrofluorination method 哈尔滨工业大学(深圳) 2022-12-02 — — CN claimed
US-12582719-B2 Chimeric compounds and methods of managing neurological disorders or conditions EMORY UNIVERSITY (US) 2026-03-24 — — US disclosed
CN-115417738-B Photo-induced alpha-hydrofluorination method for diazoaryl ester compound 哈尔滨工业大学(深圳) 2023-10-03 — — CN disclosed
CN-115417738-A Photoinduced diazoaryl ester compound alpha-hydrofluorination method 哈尔滨工业大学(深圳) 2022-12-02 — — CN disclosed
CN-109988090-B Tetrahydropyrrole derivative and synthetic method and application thereof 华东师范大学 2022-07-22 — — CN disclosed
US-20220133892-A1 Chimeric Compounds and Methods of Managing Neurological Disorders or Conditions UNIV EMORY (US) 2022-05-05 — — US disclosed
EP-3930746-A1 CHIMERIC COMPOUNDS AND METHODS OF MANAGING NEUROLOGICAL DISORDERS OR CONDITIONS Emory University (US) 2022-01-05 — — EP disclosed
CN-109988090-A A kind of pyrrolidine derivative and its synthetic method and application 华东师范大学 2019-07-09 — — CN disclosed
US-10207984-B2 Cyclopropyl derivatives and methods of use EMORY UNIVERSITY (US) 2019-02-19 — — US disclosed
US-10093609-B2 TAK1 kinase inhibitors, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-10-09 — — US disclosed
US-20090048329-A1 Substituted Pyrrolidine Compounds With Central Nervous System Activity NIH-DEITR 2009-02-19 — — US disclosed
WO-2009002923-A1 SUBSTITUTED PYRROLIDINE COMPOUNDS WITH CENTRAL NERVOUS SYSTEM ACTIVITY THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-12-31 — — WO disclosed
EP-1305301-B1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 — — EP disclosed
US-6608218-B2 Such as 1-(cyclopentyloxy-(3,4-dichloro-phenyl)-acetyl)-3-methyl-urea for treatment of diabetes HOFFMANN-LA ROCHE INC. 2003-08-19 — — US disclosed
EP-1305301-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-02 — — EP disclosed
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-12-26 — — US disclosed
US-6486184-B2 1-(CYCLOPENTYLOXY-(3,4-DICHLORO- PHENYL)-ACETYL)-3-METHYL-UREA FOR EXAMPLE; USE IN TREATING HYPERGLYCEMIA CHARACTERISTIC OF ALL TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-26 — — US disclosed
US-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-04-11 — — US disclosed
WO-2002008209-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 — — WO 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 (7 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-20090048329-A1 Substituted Pyrrolidine Compounds With Central Nervous System Activity SLC6A3, SLC18A2, SLC6A2 HPGD 2321/4885TSHR 1153/4885NPC1 276/4885
US-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA HPGD 1396/4885TSHR 3506/4885NPC1 4358/4885
US-10093609-B2 TAK1 kinase inhibitors, compositions, and uses related thereto TAB1, MAP3K1, MAP3K6 HPGD 2646/4885TSHR 4115/4885NPC1 1648/4885
US-10207984-B2 Cyclopropyl derivatives and methods of use CNR2, FKBP8, FKBP5 HPGD 249/4885TSHR 3988/4885NPC1 2820/4885
US-20220133892-A1 Chimeric Compounds and Methods of Managing Neurological Disorders or Conditions MAOA, HNMT, HDAC6 HPGD 2129/4885TSHR 1974/4885NPC1 2010/4885
US-12582719-B2 Chimeric compounds and methods of managing neurological disorders or conditions SLC6A4, HTR4, HTR1A HPGD 3078/4885TSHR 206/4885NPC1 963/4885
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA HPGD 1297/4885TSHR 3583/4885NPC1 4350/4885

“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.

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