SCHEMBL3396111

SCHEMBL3396111

O=C(CNc1c(Cl)cccc1Cl)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.42
PTK2B Q14289 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TTR P02766 2/20 0.41
AKR1B10 O60218 1/20 0.41
UGT1A9 O60656 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
ALB P02768 1/20 0.41
CXCL8 P10145 1/20 0.41
UGT1A6 P19224 1/20 0.41
UGT1A1 P22309 1/20 0.41
PTGS1 P23219 1/20 0.41
CXCR1 P25024 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 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
SCHEMBL3636581 0.98 KMT2A (0.42) KMT2AMEN1MAPTPTK2BNPC1
SCHEMBL28535131 0.98 KMT2A (0.42) KMT2AMEN1MAPTPTK2BNPC1
SCHEMBL7164936 0.84 MEN1 (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6243396 0.78 CYP19A1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8370090 0.77 KMT2A (0.57) KMT2AMAPTTTRAKR1B10UGT1A9
SCHEMBL7759545 0.77 HTT (0.45) KMT2ARAB9ATTRAKR1B10UGT1A9
SCHEMBL6243149 0.77 MEN1 (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8365425 0.77 KMT2A (0.50) KMT2AMEN1TTRAKR1B10UGT1A9
SCHEMBL27926510 0.75 CYP19A1 (0.47) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL16672098 0.75 KMT2A (0.58) KMT2AMEN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
EP-2756843-A2 Positively charged water-soluble prodrugs of diclofenac with very fast skin penetration rate Techfields Biochem Co. Ltd (CN) 2014-07-23 EP disclosed
EP-2046727-B1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DICLOFENAC WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO LTD (CN) 2014-03-12 EP disclosed
WO-2010065936-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS YU CHONGXI (US) 2010-06-10 WO disclosed
EP-2046727-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DICLOFENAC WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-04-15 EP disclosed
WO-2008012602-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DICLOFENAC WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-01-31 WO disclosed
EP-1558559-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC Nicox S.A. (FR) 2005-08-03 EP disclosed
WO-2004026808-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA. (FR) 2004-04-01 WO disclosed
WO-2003068203-A1 USE OF A COMBINATION OF A NON-STEROIDAL ANTI-INFLAMMATORY AGENT AND GUAIFENESIN FOR THE TREATMENT OF ACUTE PAIN ZENTIVA, A.S. (CZ) 2003-08-21 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 (1 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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KMT2A 3616/4885MEN1 4272/4885MAPT 3194/4885

“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.