SCHEMBL2594793

SCHEMBL2594793

O=C1CSc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.43
PTPRC P08575 1/20 0.38
METAP1 P53582 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
BCL2 P10415 2/20 0.37
MCL1 Q07820 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B3 P37058 1/20 0.37
PARP10 Q53GL7 2/20 0.37
TDP2 O95551 1/20 0.37
PARP11 Q9NR21 1/20 0.37
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34
PBRM1 Q86U86 1/20 0.34
KCNN4 O15554 1/20 0.34

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
SCHEMBL5329304 0.84 S100A4 (0.43) S100A4PTPRCMETAP1BCL2MCL1
SCHEMBL13135 0.81 KDM4E (0.58) S100A4PTPRCMETAP1KDM4EHTT
SCHEMBL5956746 0.78 KDM4E (0.47) S100A4PTPRCMETAP1KDM4EHTT
SCHEMBL6812146 0.76 HTT (0.41) KDM4EHTTCA1CA2CA7
SCHEMBL9159671 0.76 VHL (0.49) S100A4METAP1KDM4EHTTCA1
SCHEMBL13539308 0.76 KDM4E (0.38) KDM4EHTTMAOAMAOB
SCHEMBL13871409 0.76 EPHX2 (0.53) METAP1KDM4EHTTCA1CA2
SCHEMBL31040913 0.73 TDP2 (0.42) KDM4EHTTCA1CA2CA4
SCHEMBL11877796 0.72 MEN1 (0.46) KDM4EHTTPARP10TDP2PARP11
SCHEMBL68574 0.72 KDM4E (0.71) METAP1KDM4EHTTCA1CA2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
US-8592426-B2 Aryl-benzocycloalkyl amide derivatives Hoffmann—La Roche Inc. (US) 2013-11-26 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US disclosed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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 (3 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 S100A4 1938/4885PTPRC 3588/4885METAP1 3142/4885
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES CYP1A1, AHR, CYP1B1 S100A4 3564/4885PTPRC 3471/4885METAP1 4831/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R S100A4 2880/4885PTPRC 3522/4885METAP1 3196/4885

“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.