SCHEMBL20554745

SCHEMBL20554745

NCc1ccc(Oc2ccc(C(F)(F)F)nc2)c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL30132530 1.00 SLC40A1 (0.37) SLC40A1SCN9APLAAT3PLAAT5PLAAT2
SCHEMBL20554702 0.91 PLAAT3 (0.37) SLC40A1SCN9APLAAT3PLAAT5PLAAT2
SCHEMBL30132506 0.91 PLAAT3 (0.37) SLC40A1SCN9APLAAT3PLAAT5PLAAT2
SCHEMBL20554667 0.86 BRD4 (0.35) BRD4MAOAMAOBKDM4ENR1H2
SCHEMBL20554693 0.84 BRD4 (0.46) SCN9ABRD4MAOAMAOBKDM4E
SCHEMBL30132632 0.82 KDM4E (0.38) BRD4MAOAMAOBKDM4EGAA
SCHEMBL20554915 0.82 KDM4E (0.38) BRD4MAOAMAOBKDM4EGAA
SCHEMBL20608863 0.82 CYP2C19 (0.38) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20554643 0.79 ALDH1A1 (0.41) SLC40A1SCN9ASMN1; SMN2
SCHEMBL20608927 0.79 L3MBTL1 (0.46) SCN9ABRD4MAOBKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC40A1 2015/4885SCN9A 379/4885PLAAT3 2530/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB SLC40A1 1917/4885SCN9A 476/4885PLAAT3 2682/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 SLC40A1 1576/4885SCN9A 564/4885PLAAT3 3449/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 SLC40A1 1642/4885SCN9A 414/4885PLAAT3 3153/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 SLC40A1 1576/4885SCN9A 564/4885PLAAT3 3449/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 SLC40A1 1642/4885SCN9A 414/4885PLAAT3 3153/4885

“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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