SCHEMBL20554411

SCHEMBL20554411

Nc1ccc(Oc2ccccc2)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.51
▸ HSP90AB1 P08238 3/20 0.51
▸ IDO1 P14902 2/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NR4A2 P43354 1/20 0.40
▸ NSD2 O96028 1/20 0.40

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
SCHEMBL28813110 0.81 GAA (0.59) HSP90AA1MEN1KMT2AMAPTALDH1A1
SCHEMBL20554261 0.80 GAA (0.52) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL6600225 0.78 LTA4H (0.58) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL9181996 0.78 NSD2 (0.58) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL20554350 0.75 ADORA1 (0.48) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL29661959 0.74 HSP90AA1 (0.70) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL7455899 0.74 HSP90AA1 (0.70) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL31179075 0.74 HSP90AA1 (0.51) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL12154379 0.74 MEN1 (0.40) MEN1KMT2AMAPTAPAF1TDP2
SCHEMBL16620693 0.74 KDM4E (0.52) HSP90AA1MEN1KMT2AMAPTAPAF1

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 12 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
CN-108430972-A α, β unsaturated acyl amine compounds 协和发酵麒麟株式会社 2018-08-21 — — CN 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 HSP90AA1 1428/4885HSP90AB1 1055/4885IDO1 1006/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB HSP90AA1 1404/4885HSP90AB1 1131/4885IDO1 975/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 HSP90AA1 1417/4885HSP90AB1 1146/4885IDO1 770/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 HSP90AA1 1421/4885HSP90AB1 1052/4885IDO1 846/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 HSP90AA1 1417/4885HSP90AB1 1146/4885IDO1 770/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 HSP90AA1 1421/4885HSP90AB1 1052/4885IDO1 846/4885

“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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