SCHEMBL20554667

SCHEMBL20554667

NCc1ccc(Oc2cnc(C(F)(F)F)nc2)c2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 11/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BCHE P06276 1/20 0.32

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
SCHEMBL20554745 0.86 SLC40A1 (0.37) BRD4MAOAMAOBKDM4EL3MBTL1
SCHEMBL30132530 0.86 SLC40A1 (0.37) BRD4MAOAMAOBKDM4EL3MBTL1
SCHEMBL20554693 0.84 BRD4 (0.46) BRD4MAOAMAOBKDM4EL3MBTL1
SCHEMBL20608927 0.81 L3MBTL1 (0.46) BRD4MAOBKDM4EL3MBTL1NPSR1
SCHEMBL30132569 0.81 L3MBTL1 (0.46) BRD4MAOBKDM4EL3MBTL1NPSR1
SCHEMBL20554057 0.81 BRD4 (0.35) BRD4KDM4EL3MBTL1SMN1; SMN2ALOX12
SCHEMBL20554046 0.80 KDM4E (0.43) BRD4MAOAMAOBKDM4EL3MBTL1
SCHEMBL20554915 0.79 KDM4E (0.38) BRD4MAOAMAOBKDM4EL3MBTL1
SCHEMBL30132632 0.79 KDM4E (0.38) BRD4MAOAMAOBKDM4EL3MBTL1
SCHEMBL20554052 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1

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 10 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
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 BRD4 859/4885MAOA 3301/4885MAOB 3240/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB BRD4 757/4885MAOA 3131/4885MAOB 3184/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 BRD4 555/4885MAOA 3332/4885MAOB 3552/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 BRD4 674/4885MAOA 3585/4885MAOB 3686/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 BRD4 555/4885MAOA 3332/4885MAOB 3552/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 BRD4 674/4885MAOA 3585/4885MAOB 3686/4885

“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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