SCHEMBL6142702

SCHEMBL6142702

O=Cc1ccc(Oc2ccc(F)cc2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.43
TTR P02766 1/20 0.42
HSPB1 P04792 2/20 0.41
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPAS1 Q99814 3/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
CYP2A6 P11509 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CASP6 P55212 1/20 0.38
GAA P10253 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
SCHEMBL21190855 0.90 ALDH1A1 (0.49) ALDH1A1L3MBTL1TTRHSPB1KMT2A
SCHEMBL2810532 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1TTRHSPB1KMT2A
SCHEMBL27689753 0.84 PKM (0.47) ALDH1A1L3MBTL1PKMHSPB1LMNA
SCHEMBL6142763 0.83 HSPB1 (0.58) ALDH1A1L3MBTL1TTRHSPB1KMT2A
SCHEMBL6142404 0.81 TTR (0.47) ALDH1A1L3MBTL1TTRHSPB1KMT2A
SCHEMBL17521377 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1TTRHSPB1KMT2A
SCHEMBL14117153 0.80 EPAS1 (0.40) ALDH1A1L3MBTL1PKMHSPB1KMT2A
SCHEMBL6742359 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1TTRHSPB1KMT2A
SCHEMBL4298894 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1TTRKMT2AKDM4E
SCHEMBL15068219 0.79 EPAS1 (0.55) ALDH1A1L3MBTL1PKMTTRHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP claimed
CN-1062263-C Semicarbazones having CNS activity and pharmaceutical preparations containing same UNIV SASKATCHEWAN (CA) 2001-02-21 CN claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US claimed
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 (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 ALDH1A1 91/4885L3MBTL1 313/4885PKM 3639/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885L3MBTL1 313/4885PKM 3639/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 ALDH1A1 97/4885L3MBTL1 474/4885PKM 3772/4885

“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.