SCHEMBL7091322

SCHEMBL7091322

c1ccc(Oc2ccc(-c3ccc4cc[nH]c4c3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
TNK2 Q07912 1/20 0.54
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
RHEB Q15382 1/20 0.46
GHSR Q92847 3/20 0.46
BTK Q06187 2/20 0.45
GSTP1 P09211 1/20 0.43
AHR P35869 3/20 0.42
TRPA1 O75762 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL2534126 0.88 KMT2A (0.59) NPC1TNK2MEN1POLBMAPK1
SCHEMBL12069204 0.87 NPC1 (0.74) NPC1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL443799 0.86 NPC1 (0.71) NPC1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL30253604 0.86 NPC1 (0.71) NPC1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL7088159 0.82 NPC1 (0.67) NPC1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL16720120 0.81 TNK2 (0.43) NPC1TNK2CHRNB4CHRNA3CHRNA7
SCHEMBL7084471 0.80 NPC1 (0.58) NPC1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL16719692 0.80 TNK2 (0.44) NPC1TNK2CHRNB4CHRNA3CHRNA7
SCHEMBL30620465 0.79 MEN1 (0.73) NPC1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL1224829 0.79 MEN1 (0.73) NPC1CHRNB4CHRNA3CHRNA7CHRNA10

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 12 patents. 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 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-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
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
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 WO 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 (6 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 NPC1 487/4885TNK2 2902/4885CHRNB4 268/4885
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels SCN5A, TRPV1, TRPV5 NPC1 823/4885TNK2 1183/4885CHRNB4 328/4885
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 NPC1 982/4885TNK2 1163/4885CHRNB4 602/4885
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 NPC1 982/4885TNK2 1163/4885CHRNB4 602/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 NPC1 982/4885TNK2 1163/4885CHRNB4 602/4885
US-10202344-B2 Aryl substituted indoles and the use thereof TRPC5, TRPV5, TRPV1 NPC1 982/4885TNK2 1163/4885CHRNB4 602/4885

“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.