SCHEMBL433465

SCHEMBL433465

O=Cc1ccc(Oc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 7/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP19A1 P11511 3/20 0.56
LTA4H P09960 2/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HTT P42858 2/20 0.47
PARP10 Q53GL7 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL31238435 1.00 KDM4E (0.58) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL16114401 0.84 LMNA (0.75) ALDH1A1LMNATDP1SMN1; SMN2CYP19A1
SCHEMBL2531633 0.83 LMNA (0.68) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL30218733 0.83 LMNA (0.68) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL27968872 0.81 LMNA (0.69) ALDH1A1LMNATDP1SMN1; SMN2CYP19A1
SCHEMBL30535283 0.80 LMNA (0.82) ALDH1A1LMNATDP1SMN1; SMN2CYP19A1
SCHEMBL676142 0.80 LMNA (0.82) ALDH1A1LMNATDP1SMN1; SMN2CYP19A1
SCHEMBL510617 0.80 ALDH1A1 (0.59) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL875601 0.79 KDM4E (0.54) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL15177166 0.79 LMNA (0.53) KDM4EALDH1A1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 US claimed
US-6638947-B2 Blockers of sodium channels; treatment of neuronal damage following global and focal ischemia, treatment or prevention of neurodegenerative conditions, pain EURO-CELTIQUE S.A. (LU) 2003-10-28 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-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
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 WO disclosed
US-4731370-A VASODILATOR, ANTICOAGULANT TOYAMA CHEMICAL CO., LTD. (JP) 1988-03-15 US disclosed
US-4713387-A Vasodilating and platelet aggregation inhibiting 1,4 dihydropyridines with an imidazolyl or pyridyl containing ester TOYAMA CHEMICAL CO., LTD. (JP) 1987-12-15 US disclosed
US-4496735-A THROMBOXANE A2 INHIBITOR MARUKO SEIYAKU CO., LTD. (JP) 1985-01-29 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A KDM4E 936/4885ALDH1A1 149/4885MAPT 2893/4885
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 KDM4E 3771/4885ALDH1A1 91/4885MAPT 2250/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 KDM4E 3771/4885ALDH1A1 91/4885MAPT 2250/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 KDM4E 3849/4885ALDH1A1 97/4885MAPT 2452/4885

“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.