SCHEMBL6142802

SCHEMBL6142802

O=Cc1ccc(Oc2cc(F)cc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2A6 P11509 1/20 0.47
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
DRD1 P21728 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A3 P47895 1/20 0.42
STS P08842 1/20 0.41
VEGFA P15692 1/20 0.41
MAPT P10636 1/20 0.40
SCN4A P35499 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL8545768 0.96 PARP10 (0.50) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL17521456 0.88 ALDH1A1 (0.46) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL184204 0.85 ALDH1A1 (0.62) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL6741260 0.83 MAOA (0.49) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL1663469 0.82 PARP10 (0.65) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL5050902 0.82 PARP10 (0.65) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL10715281 0.82 VEGFA (0.46) ALDH1A1SMN1; SMN2KMT2AVEGFAMAPT
SCHEMBL17508183 0.82 PARP10 (0.49) PARP10PARP3ALDH1A1L3MBTL1KDM4E
Fluoromethane SCHEMBL28219755 0.81 ALDH1A1 (0.62) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL11387410 0.79 TTR (0.45) ALDH1A1L3MBTL1LMNACYP2A6KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
EP-2948456-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-02 EP disclosed
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed
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 disclosed
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 disclosed
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 disclosed
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 US disclosed
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 disclosed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 US disclosed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 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 (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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 PARP10 705/4885PARP3 1183/4885ALDH1A1 1290/4885
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 PARP10 4626/4885PARP3 3899/4885ALDH1A1 91/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 PARP10 4626/4885PARP3 3899/4885ALDH1A1 91/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 PARP10 4587/4885PARP3 3931/4885ALDH1A1 97/4885

“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.