SCHEMBL510396

SCHEMBL510396

O=Cc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 5/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.50
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE10A Q9Y233 1/20 0.43
CYP2A6 P11509 2/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL31238491 1.00 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL11143982 0.84 PTGS2 (0.57) KDM4ESMN1; SMN2LMNATLR4TLR2
SCHEMBL10829207 0.82 PTGS2 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL2349067 0.81 TLR4 (0.64) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
Formic Acid SCHEMBL27325993 0.80 TLR4 (0.48) ALDH1A1KDM4ESMN1; SMN2LMNATLR4
SCHEMBL8551768 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL347528 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL10753672 0.79 PTGS2 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNATLR4
SCHEMBL15177156 0.79 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL147539 0.78 LOXL2 (0.52) ALDH1A1KDM4ESMN1; SMN2LMNATLR4

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 109 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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
CN-107011251-B Synthesis method and application of 2- (2-chlorophenoxy) pyridine compound 温州医科大学 2020-08-11 CN disclosed
US-10450292-B2 Inhibitors of bacterial RNA polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols Rutgers, The State University of New Jersesy (US) 2019-10-22 US disclosed
US-20190023682-A1 INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-24 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
WO-1997026252-A1 INSECTICIDAL N-HETEROCYCLYLALKYL- OR N-[(POLYCYCLYL)-ALKYL]-N'-SUBSTITUTED PIPERAZINES FMC CORPORATION (US) 1997-07-24 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 (5 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-20190023682-A1 INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS RNGTT, ELL, PGLS ALDH1A1 1227/4885KDM4E 426/4885SMN1; SMN2 4815/4885
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885KDM4E 3771/4885SMN1; SMN2 87/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885KDM4E 3771/4885SMN1; SMN2 87/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 ALDH1A1 97/4885KDM4E 3849/4885SMN1; SMN2 78/4885
US-10450292-B2 Inhibitors of bacterial RNA polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols RNGTT, ELL, PGLS ALDH1A1 1227/4885KDM4E 426/4885SMN1; SMN2 4815/4885

“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.