SCHEMBL4680969

SCHEMBL4680969

CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
RAB9A P51151 7/20 0.50
NPC1 O15118 4/20 0.50
PTPN1 P18031 1/20 0.50
MAPT P10636 7/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
ABCB1 P08183 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK14 Q16539 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
SCHEMBL11052292 0.90 MAPT (0.58) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL655375 0.88 HTR7 (0.64) HTR7RAB9ANPC1PTPN1MAPT
SCHEMBL1269735 0.83 ERCC5 (0.64) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL11955348 0.83 KMT2A (0.64) RAB9ANPC1MAPTKMT2AHSD17B10
SCHEMBL6149922 0.83 RAB9A (0.52) HTR7RAB9ANPC1PTPN1MAPT
SCHEMBL6061938 0.83 PARP10 (0.58) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL11485192 0.82 SMN1; SMN2 (0.68) HTR7RAB9ANPC1PTPN1MAPT
SCHEMBL25081212 0.82 MAOB (0.72) RAB9ANPC1PTPN1MAPTSMN1; SMN2
SCHEMBL6142809 0.81 MMP1 (0.59) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL6142684 0.81 SRD5A2 (0.53) RAB9ANPC1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986540-B1 THE USE OF CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AS SODIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2005-02-16 EP claimed
US-6696442-B2 THERAPY OF DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS IN A MAMMAL SUFFERING THEREFROM BY ADMINISTERING CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES, WHICH ACT AS BLOCKERS OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2004-02-24 US claimed
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 US claimed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 US claimed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 US claimed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP claimed
CN-1062263-C Semicarbazones having CNS activity and pharmaceutical preparations containing same UNIV SASKATCHEWAN (CA) 2001-02-21 CN claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US claimed
WO-2015117196-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 WO disclosed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
CN-1795179-A Novel imidazole derivatives, the production thereof, and the use of the same as a medicament SOD CONSEILS RECH APPLIC (FR) 2006-06-28 CN disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
EP-1568690-A1 The use of carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones as sodium channel blockers Euro-Celtique S.A. (LU) 2005-08-31 EP disclosed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 US disclosed
CN-1422254-A Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO CELTIQUE SA (LU) 2003-06-04 CN disclosed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 US disclosed
CN-1353605-A Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and use thereof EURO CELTIQUE SA (LU) 2002-06-12 CN disclosed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 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 (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-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 HTR7 2220/4885RAB9A 4389/4885NPC1 1661/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 HTR7 2220/4885RAB9A 4389/4885NPC1 1661/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 HTR7 1869/4885RAB9A 4404/4885NPC1 1770/4885

“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.