SCHEMBL16699642

SCHEMBL16699642

Fc1ccc(Oc2ccc(-n3c(Cc4nnn[nH]4)nc4ccccc43)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.64
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
CACNG2 Q9Y698 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
MCHR1 Q99705 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL10891548 0.84 PIK3CD (0.47) SCN9ARAB9ANPC1PIK3CDPIK3CA
SCHEMBL16698759 0.83 SCN9A (0.70) SCN9ARAB9ANPC1GRIA1CACNG8
SCHEMBL16707110 0.81 SCN9A (0.70) SCN9ARAB9ANPC1GRIA1CACNG8
SCHEMBL16698830 0.79 SCN9A (0.61) SCN9ARAB9ANPC1GRIA1CACNG8
SCHEMBL16698954 0.75 SCN9A (0.56) SCN9ARAB9ANPC1GRIA1CACNG8
SCHEMBL16698961 0.75 SCN9A (0.56) SCN9ARAB9ANPC1GRIA1CACNG8
SCHEMBL16698844 0.73 SCN9A (0.55) SCN9ARAB9ANPC1MCHR1MET
SCHEMBL16699112 0.71 SCN9A (1.00) SCN9AMEN1KMT2AMCHR1
SCHEMBL10819080 0.70 RAB9A (0.61) SCN9ARAB9ANPC1GRIA1CACNG8
SCHEMBL16699280 0.66 SCN9A (0.63) SCN9ARAB9ANPC1GRIA1CACNG8

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 120/4885RAB9A 3494/4885NPC1 3128/4885
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 SCN9A 120/4885RAB9A 3494/4885NPC1 3128/4885

“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.