SCHEMBL3138940

SCHEMBL3138940

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.79
MAPT P10636 2/20 0.79
RAB9A P51151 1/20 0.79
MAOB P27338 6/20 0.64
BACE1 P56817 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ESRRA P11474 1/20 0.51
GAA P10253 2/20 0.50
ALDH1A1 P00352 3/20 0.49
STS P08842 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 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) HPGDMAPTRAB9AMAOBL3MBTL1
SCHEMBL203697 0.89 HPGD (1.00) HPGDMAPTRAB9AMAOBL3MBTL1
SCHEMBL1696183 0.87 CES2 (0.62) HPGDMAPTRAB9AMAOBL3MBTL1
SCHEMBL54677 0.87 CES2 (0.62) HPGDMAPTRAB9AMAOBL3MBTL1
SCHEMBL14407952 0.85 HPGD (0.58) HPGDMAPTRAB9AMAOBBACE1
Hydrochloric Acid SCHEMBL27523727 0.84 CES2 (0.59) HPGDMAPTRAB9AMAOBL3MBTL1
SCHEMBL15448720 0.83 SRD5A2 (0.59) HPGDMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL9789228 0.83 MAPT (0.86) HPGDMAPTRAB9AMAOBL3MBTL1
SCHEMBL2862520 0.83 SRD5A2 (0.59) HPGDMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL3020544 0.83 SRD5A2 (0.59) HPGDMAPTRAB9AALDH1A1SMN1; 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 69 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-114761399-B Imidazole carboxamide derivatives as bruton's tyrosine kinase inhibitors 河南知微生物医药有限公司 2024-03-26 CN disclosed
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
US-20220411430-A1 SUBSTITUTED IMIDAZOLECARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN ZHIWEI BIOMEDICINE CO., LTD. (CN) 2022-12-29 US disclosed
EP-0324472-A2 Ketenedithioacetal derivatives and processes for producing the same as well as a composition containing the same NIHON NOHYAKU CO., LTD. (JP) 1989-07-19 EP disclosed
CN-87108295-A New alkane sulfonyl aniline derivative and its medicinal compositions and preparation method 1988-07-13 CN 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 (4 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 HPGD 1599/4885MAPT 2250/4885RAB9A 4389/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 HPGD 1599/4885MAPT 2250/4885RAB9A 4389/4885
US-20220411430-A1 SUBSTITUTED IMIDAZOLECARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS BTK, SYK, LYN HPGD 3784/4885MAPT 4308/4885RAB9A 2841/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 HPGD 1752/4885MAPT 2452/4885RAB9A 4404/4885

“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.