SCHEMBL18730516

SCHEMBL18730516

C[C@H](n1cnc2ccc(Oc3ccc(C(F)(F)F)cn3)cc21)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.47
THRB P10828 1/20 0.46
SCN7A Q01118 3/20 0.45
KCNH2 Q12809 3/20 0.45
SCN5A Q14524 3/20 0.45
MAPK1 P28482 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL29463813 1.00 SCN9A (0.47) SCN9ATHRBSCN7AKCNH2SCN5A
SCHEMBL18638558 1.00 SCN9A (0.47) SCN9ATHRBSCN7AKCNH2SCN5A
SCHEMBL29463872 1.00 SCN9A (0.47) SCN9ATHRBSCN7AKCNH2SCN5A
SCHEMBL22227596 1.00 SCN9A (0.47) SCN9ATHRBSCN7AKCNH2SCN5A
SCHEMBL18751931 0.86 PPARG (0.41) SCN9A
SCHEMBL18751929 0.86 PPARG (0.41) SCN9A
SCHEMBL29463828 0.80 SCN9A (0.52) SCN9ASCN7AKCNH2SCN5AMAPK1
SCHEMBL18638520 0.80 SCN9A (0.52) SCN9ASCN7AKCNH2SCN5AMAPK1
SCHEMBL29463817 0.78 SCN9A (0.54) SCN9ASCN7AKCNH2SCN5AMAPK1
SCHEMBL18638315 0.78 SCN9A (0.54) SCN9ASCN7AKCNH2SCN5AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3348547-B1 BENZIMIDAZOLE DERIVATIVES AS NAV 1.7 (SODIUM CHANNEL, VOLTAGE-GATED, TYPE IX, ALPHA SUBUNIT (SCN9A)) INHIBITORS FOR TREATING PAIN, DYSURIA AND MULTIPLE SCLEROSIS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2020-07-22 EP claimed
US-10407395-B2 Benzimidazole compound and medical use thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-09-10 US claimed
EP-3348547-A1 NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2018-07-18 EP claimed
US-20180170881-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2018-06-21 US claimed
US-9688670-B2 Benzimidazole compounds and medical uses thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-06-27 US claimed
US-20170107211-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2017-04-20 US claimed
EP-3348547-B1 BENZIMIDAZOLE DERIVATIVES AS NAV 1.7 (SODIUM CHANNEL, VOLTAGE-GATED, TYPE IX, ALPHA SUBUNIT (SCN9A)) INHIBITORS FOR TREATING PAIN, DYSURIA AND MULTIPLE SCLEROSIS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2020-07-22 EP disclosed
US-10407395-B2 Benzimidazole compound and medical use thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-09-10 US disclosed
US-10407395-B2 Benzimidazole compound and medical use thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-09-10 US disclosed
EP-3348547-A1 NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2018-07-18 EP disclosed
US-20180170881-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2018-06-21 US disclosed
US-20180170881-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2018-06-21 US disclosed
US-9688670-B2 Benzimidazole compounds and medical uses thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-06-27 US disclosed
US-9688670-B2 Benzimidazole compounds and medical uses thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-06-27 US disclosed
US-20170107211-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2017-04-20 US disclosed
US-20170107211-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2017-04-20 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 (3 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-20170107211-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF KCNA7, SCN1A, KCNA1 SCN9A 60/4885THRB 2034/4885SCN7A 18/4885
US-10407395-B2 Benzimidazole compound and medical use thereof SCN1B, SCN1A, KCNA7 SCN9A 64/4885THRB 1968/4885SCN7A 17/4885
US-20180170881-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF KCNA7, SCN1A, KCNA1 SCN9A 60/4885THRB 2034/4885SCN7A 18/4885

“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.