SCHEMBL20554243

SCHEMBL20554243

Nc1cncc(Oc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.52
▸ KCNH2 Q12809 3/20 0.52
▸ SCN5A Q14524 2/20 0.52
▸ ICAM1 P05362 2/20 0.43
▸ SELE P16581 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAOB P27338 2/20 0.41
▸ TTBK1 Q5TCY1 2/20 0.41
▸ TTBK2 Q6IQ55 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39

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
SCHEMBL20554634 0.86 TLR8 (0.40) SCN9AKCNH2SCN5AICAM1SELE
SCHEMBL29564344 0.86 SCN9A (0.53) SCN9AKCNH2SCN5ARAB9AMAOB
SCHEMBL21186223 0.83 ALDH1A1 (0.47) SCN9AKCNH2SCN5ARAB9AMAOB
SCHEMBL20554420 0.83 SCN9A (0.52) SCN9AKCNH2SCN5AICAM1SELE
SCHEMBL30132565 0.83 TSHR (0.47) ICAM1SELEL3MBTL1MAOBTTBK1
SCHEMBL20554364 0.83 TSHR (0.47) ICAM1SELEL3MBTL1MAOBTTBK1
SCHEMBL20554691 0.81 THRB (0.53) SCN9ARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL30938621 0.80 SCN9A (0.46) SCN9AKCNH2SCN5AICAM1SELE
SCHEMBL473537 0.78 KIF11 (0.64) SCN9AKCNH2SCN5ARAB9AL3MBTL1
SCHEMBL29564492 0.78 KCNH2 (0.43) SCN9AKCNH2SCN5ARAB9AMAOB

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
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 — — US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 — — US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 — — US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 — — US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 — — US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 — — EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 — — CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 — — US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 — — EP 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA SCN9A 379/4885KCNH2 3061/4885SCN5A 1252/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB SCN9A 476/4885KCNH2 3009/4885SCN5A 1421/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 SCN9A 564/4885KCNH2 2783/4885SCN5A 1468/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 SCN9A 414/4885KCNH2 2847/4885SCN5A 1271/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 SCN9A 564/4885KCNH2 2783/4885SCN5A 1468/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 SCN9A 414/4885KCNH2 2847/4885SCN5A 1271/4885

“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.

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