Sugi Predict

Sugi Predict / Compounds / SCHEMBL260401

SCHEMBL260401

SCHEMBL260401

Cc1cccc(Oc2ccc(C=O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ HTT P42858 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.46
▸ PARP3 Q9Y6F1 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ LYN P07948 1/20 0.45
▸ AR P10275 1/20 0.45

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
SCHEMBL30644969 0.87 MAOA (0.62) ALDH1A1HTTTDP1L3MBTL1HSD17B1
SCHEMBL1745573 0.87 MAOA (0.62) ALDH1A1HTTTDP1L3MBTL1HSD17B1
SCHEMBL8546955 0.87 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL10013917 0.84 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1HSD17B1
SCHEMBL14159539 0.84 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1HSD17B1
SCHEMBL8547510 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2CYP2A6
SCHEMBL31599170 0.83 SRC (0.53) ALDH1A1TDP1MAOAMAOBKDM4E
SCHEMBL15091447 0.83 ALDH1A1 (0.59) ALDH1A1TDP1KDM4ELMNASMN1; SMN2
SCHEMBL6853633 0.83 SRC (0.53) ALDH1A1TDP1MAOAMAOBKDM4E
SCHEMBL1071646 0.82 MAOA (0.62) ALDH1A1HTTTDP1L3MBTL1MAOA

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 50 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
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
CN-1062263-C Semicarbazones having CNS activity and pharmaceutical preparations containing same UNIV SASKATCHEWAN (CA) 2001-02-21 — — CN 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
EP-3936192-A1 PYRROLOPYRAZOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2022-01-12 — — EP disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 — — US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 — — US disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 — — US disclosed
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 — — US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
CN-1082023-A The medicine and the novel benzoic acid derivative that contain benzoic acid derivative YAMANOUCHI PHARMA CO LTD (JP) 1994-02-16 — — CN 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-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885HTT 192/4885TDP1 743/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 ALDH1A1 97/4885HTT 205/4885TDP1 731/4885

“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.