SCHEMBL2186784

SCHEMBL2186784

CC(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.79
RAB9A P51151 3/20 0.79
HPGD P15428 3/20 0.79
MAOB P27338 3/20 0.64
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
SRD5A2 P31213 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ESRRA P11474 1/20 0.51
GAA P10253 1/20 0.50
STS P08842 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
PARP10 Q53GL7 2/20 0.48

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
SCHEMBL3301210 0.89 HPGD (1.00) MAPTRAB9AHPGDMAOBKMT2A
SCHEMBL203697 0.89 HPGD (1.00) MAPTRAB9AHPGDMAOBKMT2A
SCHEMBL20102 0.87 CES2 (0.62) MAPTRAB9AHPGDMAOBKMT2A
SCHEMBL17187852 0.87 CES2 (0.62) MAPTRAB9AHPGDMAOBKMT2A
Water SCHEMBL28953297 0.84 CES2 (0.59) MAPTRAB9AHPGDMAOBKMT2A
Hydrochloric Acid SCHEMBL27695916 0.84 CES2 (0.59) MAPTRAB9AHPGDMAOBKMT2A
SCHEMBL3842210 0.83 SRD5A2 (0.71) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL3844080 0.83 SRD5A2 (0.71) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL11795251 0.83 CES2 (0.73) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL9789228 0.83 MAPT (0.86) MAPTRAB9AHPGDMAOBKMT2A

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 38 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
JP-2001526648-A 2001-12-18 JP claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP claimed
EP-0986540-A4 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS INC (US) 2001-07-11 EP claimed
EP-0986540-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-03-22 EP claimed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 WO claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US claimed
CN-116018138-A Substituted 1H-imidazo [1,2-b ] pyrazole-3-carboxamides as inhibitors of brunauer tyrosine kinase 河南知微生物医药有限公司 2023-04-25 CN disclosed
WO-2022012550-A1 SUBSTITUTED 1H-IMIDAZO [1, 2-B] PYRAZOLE-3-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN NORMAL UNIVERSITY (CN) 2022-01-20 WO disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 US disclosed
US-4536517-A ANTIDIABETIC, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
US-4136200-A PHENYLBUTANOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-01-23 US disclosed
US-4049823-A Phenylbutanol derivatives and compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-20 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 MAPT 2250/4885RAB9A 4389/4885HPGD 1599/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 MAPT 2250/4885RAB9A 4389/4885HPGD 1599/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 MAPT 2452/4885RAB9A 4404/4885HPGD 1752/4885

“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.