SCHEMBL16699280

SCHEMBL16699280

Fc1ccc(Oc2ccc(-n3c(-c4c[nH]cn4)nc4ccccc43)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.63
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
CACNG2 Q9Y698 1/20 0.49
HRH3 Q9Y5N1 7/20 0.42
KCNH2 Q12809 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL16699046 0.73 SCN9A (1.00) SCN9AGRIA1CACNG8CACNG2NPC1
SCHEMBL1384144 0.73 SCN4A (0.53) SCN9A
SCHEMBL12130054 0.70 GRIA1 (0.74) SCN9AGRIA1CACNG8CACNG2
SCHEMBL27646780 0.69 ESR1 (0.61) SCN9AGRIA1CACNG8CACNG2NPC1
SCHEMBL16699310 0.68 SCN9A (0.76) SCN9AGRIA1CACNG8CACNG2KCNH2
SCHEMBL16698759 0.68 SCN9A (0.70) SCN9AGRIA1CACNG8CACNG2NPC1
SCHEMBL5581280 0.68 GRIA1 (0.78) SCN9AGRIA1CACNG8CACNG2RAB9A
SCHEMBL22522303 0.67 GRIA1 (0.60) SCN9AGRIA1CACNG8CACNG2NPC1
SCHEMBL22522532 0.67 GRIA1 (0.77) SCN9AGRIA1CACNG8CACNG2NPC1
SCHEMBL22522309 0.67 GRIA1 (0.77) SCN9AGRIA1CACNG8CACNG2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US claimed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 US claimed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 US claimed
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 US disclosed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 US disclosed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 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 (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-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 SCN9A 120/4885GRIA1 1827/4885CACNG8 108/4885
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 SCN9A 120/4885GRIA1 1827/4885CACNG8 108/4885

“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.