SCHEMBL7089361

SCHEMBL7089361

c1ccc(Oc2ccc(-c3cccc4cc[nH]c34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
SCN9A Q15858 1/20 0.45
KEAP1 Q14145 1/20 0.44
BTK Q06187 3/20 0.41
LTA4H P09960 5/20 0.41
AHR P35869 1/20 0.41
PDPK1 O15530 1/20 0.39
TSHR P16473 1/20 0.39
RIPK1 Q13546 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SCN4A P35499 1/20 0.38
TNK2 Q07912 1/20 0.37
BRD4 O60885 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NR1H2 P55055 1/20 0.36
BAX Q07812 1/20 0.36

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
SCHEMBL594405 0.84 AHR (0.50) KEAP1AHRPDPK1NPC1TNK2
SCHEMBL5661955 0.78 GSTP1 (0.48) GSTP1KEAP1AHRPDPK1NPC1
SCHEMBL24034931 0.76 AHR (0.46) KEAP1AHRPDPK1BRD4
SCHEMBL27487511 0.76 AHR (0.46) KEAP1AHRPDPK1RIPK1
SCHEMBL6089266 0.76 AHR (0.46) KEAP1AHRPDPK1RIPK1TNK2
SCHEMBL4718619 0.76 KEAP1 (0.49) KEAP1LTA4HAHRPDPK1TSHR
SCHEMBL7088348 0.75 NPC1 (0.49) KEAP1AHRPDPK1NPC1BRD4
SCHEMBL7088143 0.74 PIK3CD (0.57) GSTP1SCN9ALTA4HAHR
SCHEMBL31492457 0.74 AHR (0.60) KEAP1AHRPDPK1BRD4
4-Phenoxyaniline SCHEMBL10656295 0.73 MAOA (0.51) KEAP1AHRPDPK1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 US 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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 GSTP1 3282/4885SCN9A 90/4885KEAP1 1445/4885
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels SCN5A, TRPV1, TRPV5 GSTP1 974/4885SCN9A 75/4885KEAP1 1676/4885
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 GSTP1 558/4885SCN9A 110/4885KEAP1 1425/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 GSTP1 558/4885SCN9A 110/4885KEAP1 1425/4885
US-10202344-B2 Aryl substituted indoles and the use thereof TRPC5, TRPV5, TRPV1 GSTP1 558/4885SCN9A 110/4885KEAP1 1425/4885

“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.