SCHEMBL9989807

SCHEMBL9989807

CCOC(=O)C(Cc1c[nH]c2cc(-c3ccc(Oc4ccccc4)cc3)ccc12)[N+](=O)[O-]

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.86
ICMT O60725 1/20 0.47
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
PTPRA P18433 1/20 0.41
KCNT1 Q5JUK3 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.39
P2RY14 Q15391 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
SCHEMBL9988819 0.93 SCN9A (1.00) SCN9AICMTMMP2MMP9MAPT
SCHEMBL9988894 0.84 SCN9A (0.85) SCN9AICMTMMP2MMP9MAPT
SCHEMBL12070088 0.82 SCN9A (0.70) SCN9AMMP2MMP9MAPTTP53
SCHEMBL15374323 0.81 SCN9A (0.68) SCN9AMMP2MAPTTP53LMNA
SCHEMBL9988856 0.78 SCN9A (1.00) SCN9AMAPTTP53LMNATHRB
SCHEMBL9988849 0.77 SCN9A (1.00) SCN9AICMTMAPTTP53LMNA
SCHEMBL9989820 0.76 SCN9A (1.00) SCN9AICMTMMP2MMP9MAPT
SCHEMBL9988775 0.76 SCN9A (0.61) SCN9AMAPTLMNA
SCHEMBL4601615 0.75 SCN9A (0.60) SCN9AMAPTTP53LMNATHRB
SCHEMBL9988884 0.73 SCN9A (0.59) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2019-09-26 US claimed
US-9212139-B2 Aryl substituted indoles and their use as blockers of sodium channels PURDUE PHARMA, L.P. (US) 2015-12-15 US claimed
EP-2582666-B1 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS PURDUE PHARMA LP (US) 2014-08-13 EP claimed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US claimed
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2019-09-26 US disclosed
US-10202344-B2 Aryl substituted indoles and the use thereof PURDUE PHARMA L.P. (US) 2019-02-12 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 US disclosed
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2016-11-10 US disclosed
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2016-11-10 US disclosed
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2016-11-10 US disclosed
US-9212139-B2 Aryl substituted indoles and their use as blockers of sodium channels PURDUE PHARMA, L.P. (US) 2015-12-15 US disclosed
US-9212139-B2 Aryl substituted indoles and their use as blockers of sodium channels PURDUE PHARMA, L.P. (US) 2015-12-15 US disclosed
EP-2582666-B1 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS PURDUE PHARMA LP (US) 2014-08-13 EP disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
EP-2582666-A2 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS Purdue Pharma L.P. (US) 2013-04-24 EP disclosed
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 WO disclosed
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 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-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels SCN5A, TRPV1, TRPV5 SCN9A 75/4885ICMT 1456/4885MMP2 4350/4885
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 SCN9A 110/4885ICMT 1629/4885MMP2 4263/4885
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 SCN9A 110/4885ICMT 1629/4885MMP2 4263/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 SCN9A 110/4885ICMT 1629/4885MMP2 4263/4885
US-10202344-B2 Aryl substituted indoles and the use thereof TRPC5, TRPV5, TRPV1 SCN9A 110/4885ICMT 1629/4885MMP2 4263/4885

“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.