SCHEMBL2800244

SCHEMBL2800244

O=C(O)c1ccccc1-c1csc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
NPC1 O15118 5/20 1.00
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
KDM4E B2RXH2 4/20 0.61
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
STAT1 P42224 1/20 0.60
GFER P55789 1/20 0.60
CAPN1 P07384 1/20 0.57
EIF4E P06730 6/20 0.54
AR P10275 1/20 0.53
CYP19A1 P11511 1/20 0.53
PRNP P04156 1/20 0.52

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
SCHEMBL20333483 0.89 RAB9A (0.80) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL17336832 0.88 SMN1; SMN2 (0.79) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL27965806 0.88 RAB9A (0.78) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL5198963 0.87 RAB9A (0.76) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL23742612 0.86 RAB9A (0.76) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL2799949 0.84 RAB9A (0.72) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL14153033 0.83 RAB9A (0.70) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL11213832 0.83 RAB9A (0.77) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL14106326 0.81 NPC1 (0.67) RAB9ASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL1339930 0.81 RAB9A (0.68) RAB9ASMN1; SMN2NPC1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764052-B1 IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW SILICONES CORP (US) 2018-07-18 EP disclosed
US-9567325-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2017-02-14 US disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-12 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
US-8906941-B2 Carboxamide compounds and their use as calpain inhibitors ABBVIE INC. (US) 2014-12-09 US disclosed
EP-2764052-A2 IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS Dow Corning Corporation (US) 2014-08-13 EP disclosed
CN-103842441-A Iron(iii) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING 2014-06-04 CN disclosed
WO-2013052585-A2 IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-04-11 WO disclosed
WO-2013052585-A2 IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-04-11 WO disclosed
EP-2398783-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2011-12-28 EP disclosed
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 US disclosed
WO-2010094755-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-08-26 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 (2 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-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK4, CAMK2A, CAMK2B RAB9A 3300/4885SMN1; SMN2 1252/4885NPC1 4325/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B RAB9A 3299/4885SMN1; SMN2 1215/4885NPC1 4352/4885

“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.