SCHEMBL649968

SCHEMBL649968

NC(=O)c1sc2ccccc2c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.68
IKBKB O14920 1/20 0.68
MAOB P27338 4/20 0.57
MAOA P21397 1/20 0.53
MAPT P10636 8/20 0.50
RAB9A P51151 8/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
NPC1 O15118 6/20 0.49
GAA P10253 4/20 0.49
ALOX15 P16050 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 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
SCHEMBL11074064 1.00 LIMK1 (0.68) LIMK1IKBKBMAOBMAOAMAPT
Hydrochloric Acid SCHEMBL11077705 0.98 LIMK1 (0.66) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL647033 0.82 MCL1 (0.65) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL11632687 0.81 MAPT (0.51) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL6609258 0.81 LIMK1 (1.00) LIMK1IKBKBMAPTRAB9AMEN1
SCHEMBL9601620 0.81 RAB9A (0.61) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL14159248 0.81 MAOB (0.61) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL2294425 0.80 LIMK1 (0.53) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL347996 0.79 LIMK1 (0.66) LIMK1IKBKBMAOBMAOAMAPT
SCHEMBL7675240 0.79 MCL1 (0.71) LIMK1IKBKBMAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
US-7658778-B2 Ceramic filters formed from photocurable pre-ceramic polymers GLOBAL STRATEGIC MATERIALS, LLC (US) 2010-02-09 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed
US-7326381-B1 Applications of photocurable pre-ceramic polymers GLOBAL STRATEGIC MATERIALS, LLC (US) 2008-02-05 US disclosed
US-20030232946-A1 Application of photocurable pre-ceramic polymers GLOBAL STRATEGIC MATERIALS, LLC 2003-12-18 US disclosed
US-20020165332-A1 Preceramic polymers to hafnium carbide and hafnium nitride ceramic fibers and matrices GLOBAL STRATEGIC MATERIALS, LLC 2002-11-07 US disclosed
US-6376528-B1 SYNERGISTIC MIXTURE G. D. SEARLE & CO. 2002-04-23 US disclosed
US-5068248-A Analgesics, antipyretics and antiinflammatory agents MERCK & CO., INC. (US) 1991-11-26 US disclosed
EP-0160408-B1 BENZOTHIOPHENES, THEIR PRODUCTION AND USE, AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-08-23 EP disclosed
US-4800211-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-01-24 US disclosed
US-4800211-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-01-24 US disclosed
US-4760086-A N-alkenyl-3-hydroxybenzo[b]thiophene-2-carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0160408-A1 Benzothiophenes, their production and use, and compositions containing them MERCK & CO. INC. (US) 1985-11-06 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 (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-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 LIMK1 1370/4885IKBKB 958/4885MAOB 3141/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 LIMK1 1370/4885IKBKB 958/4885MAOB 3141/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 LIMK1 2738/4885IKBKB 1261/4885MAOB 2236/4885

“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.