SCHEMBL1098993

SCHEMBL1098993

COC(=O)c1cc2ccc(OC)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
OPRD1 P41143 1/20 0.52
CHRNA7 P36544 3/20 0.52
CLK1 P49759 6/20 0.51
DYRK1A Q13627 4/20 0.51
CA2 P00918 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL31207841 1.00 HDAC1 (0.56) HDAC1OPRD1CHRNA7CLK1DYRK1A
SCHEMBL914782 0.89 BCL2L1 (0.54) HDAC1CHRNA7CLK1DYRK1ACA2
SCHEMBL29020102 0.87 BCL2L1 (0.53) HDAC1CHRNA7CLK1DYRK1ACA2
SCHEMBL2138351 0.87 CLK1 (0.67) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL17858431 0.86 HDAC1 (0.52) HDAC1OPRD1CHRNA7CA2KDM4E
SCHEMBL1391041 0.85 MAPT (0.53) HDAC1CHRNA7CLK1DYRK1ACA2
SCHEMBL17858452 0.85 CHRNA7 (0.52) HDAC1CHRNA7CLK1KDM4EMAPT
SCHEMBL31207861 0.85 MAPT (0.53) HDAC1CHRNA7CLK1DYRK1ACA2
SCHEMBL15697595 0.84 F9 (0.53) CLK1KDM4ERAB9AALDH1A1NPC1
SCHEMBL11178135 0.83 ALDH1A1 (0.56) HDAC1CHRNA7CLK1DYRK1ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 US disclosed
EP-4504723-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2025-02-12 EP disclosed
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 WO disclosed
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 WO disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
EP-2183237-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
WO-2009013195-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 US disclosed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 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 (5 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-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 HDAC1 937/4885OPRD1 55/4885CHRNA7 2/4885
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 HDAC1 30/4885OPRD1 512/4885CHRNA7 853/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 HDAC1 516/4885OPRD1 4078/4885CHRNA7 4522/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 HDAC1 1045/4885OPRD1 260/4885CHRNA7 766/4885
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 HDAC1 679/4885OPRD1 352/4885CHRNA7 422/4885

“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.