SCHEMBL184204

SCHEMBL184204

O=Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ PARP10 Q53GL7 1/20 0.55
▸ PARP3 Q9Y6F1 1/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ CYP2A6 P11509 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SCN4A P35499 1/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ SOS1 Q07889 1/20 0.48
▸ HSPB1 P04792 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ ALDH1A3 P47895 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ STS P08842 1/20 0.45
▸ PTGS1 P23219 1/20 0.44

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
SCHEMBL5050902 0.88 PARP10 (0.65) ALDH1A1L3MBTL1PARP10PARP3KMT2A
SCHEMBL1663469 0.88 PARP10 (0.65) ALDH1A1L3MBTL1PARP10PARP3KMT2A
SCHEMBL10306547 0.85 — —
SCHEMBL8545768 0.85 PARP10 (0.50) ALDH1A1L3MBTL1PARP10PARP3KMT2A
SCHEMBL6142802 0.85 PARP10 (0.50) ALDH1A1L3MBTL1PARP10PARP3KMT2A
SCHEMBL2964 0.85 — —
Phenol SCHEMBL17941262 0.84 LTA4H (0.53) ALDH1A1L3MBTL1PARP10PARP3KMT2A
Hydrochloric Acid SCHEMBL2831797 0.83 PTGS1 (0.52) ALDH1A1L3MBTL1KMT2ACYP2A6KDM4E
SCHEMBL10031850 0.81 NFE2L2 (0.68) NFE2L2PTGS1
SCHEMBL30584498 0.81 MAOA (0.62) ALDH1A1L3MBTL1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019170046-A1 GLYCOPEPTIDE COMPOUNDS HAVING ACTIVITY OF RESISTING DRUG-RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海来益生物药物研究开发中心有限责任公司 2019-09-12 — — WO claimed
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof PURDUE PHARMA L.P. (US) 2008-12-25 — — US claimed
US-7393872-B2 Sodium channel blocker compositions and the use thereof EURO-CELTIQUE S.A. (LU) 2008-07-01 — — US claimed
US-7078057-B2 Process for producing nanometer particles by fluid bed spray-drying KERKHOF NICHOLAS J 2006-07-18 — — US claimed
EP-1169060-B1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2005-08-31 — — EP claimed
EP-1239844-B1 PROCESS FOR PRODUCING NANOMETER PARTICLES BY FLUID BED SPRAY-DRYING KERKHOF NICHOLAS J (US) 2005-06-08 — — 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-20040054005-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA L.P. 2004-03-18 — — US 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
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
WO-2001045674-A1 PROCESS FOR PRODUCING NANOMETER PARTICLES BY FLUID BED SPRAY-DRYING COCENSYS, INC. (US) 2001-06-28 — — WO claimed
WO-2001045677-A1 PROCESS FOR PRODUCING NANOMETER PARTICLES BY FLUID BED SPRAY-DRYING KERKHOF NICHOLAS J (US) 2001-06-28 — — WO claimed
WO-2000061188-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-19 — — WO 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
EP-0836591-A1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-22 — — EP claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 — — US claimed
WO-1996040628-A1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME THE UNIVERSITY OF SASKATCHEWAN (CA) 1996-12-19 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040054005-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C ALDH1A1 1502/4885L3MBTL1 3546/4885PARP10 4046/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C ALDH1A1 1502/4885L3MBTL1 3546/4885PARP10 4046/4885

“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.

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