SCHEMBL4853836

SCHEMBL4853836

O=Cc1ccc(Oc2ccc(F)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.54
PARP10 Q53GL7 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2A6 P11509 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DRD1 P21728 1/20 0.42
ALDH1A3 P47895 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
STS P08842 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL31238504 1.00 SOS1 (0.54) SOS1PARP10PARP3POLBCASP6
SCHEMBL17508183 0.85 PARP10 (0.49) SOS1PARP10PARP3POLBCASP6
SCHEMBL14656250 0.84 SOS1 (0.58) SOS1PARP10PARP3POLBCASP6
SCHEMBL14667747 0.84 ALDH1A1 (0.46) SOS1PARP10PARP3POLBCASP6
SCHEMBL14661923 0.84 POLB (0.50) SOS1PARP10PARP3POLBCASP6
SCHEMBL17099389 0.84 MAOA (0.49) SOS1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9103436 0.84 ALDH1A1 (0.46) SOS1PARP10PARP3POLBCASP6
SCHEMBL9904833 0.82 TTR (0.43) SOS1POLBCASP6ALDH1A1LMNA
SCHEMBL14656252 0.81 SOS1 (0.44) SOS1POLBCASP6ALDH1A1LMNA
SCHEMBL14663719 0.81 KIF11 (0.64) SOS1PARP10PARP3POLBCASP6

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 60 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
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 US disclosed
EP-0986540-A4 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS INC (US) 2001-07-11 EP disclosed
EP-0986540-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-03-22 EP disclosed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 WO 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 SOS1 2709/4885PARP10 4626/4885PARP3 3899/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 SOS1 2709/4885PARP10 4626/4885PARP3 3899/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 SOS1 2967/4885PARP10 4587/4885PARP3 3931/4885

“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.