SCHEMBL20554261

SCHEMBL20554261

Nc1ccc(Oc2ccccc2Cl)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ NR4A2 P43354 1/20 0.51
▸ HSP90AA1 P07900 2/20 0.47
▸ HSP90AB1 P08238 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 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
SCHEMBL20554411 0.80 HSP90AA1 (0.51) GAANR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL20554098 0.77 GAA (0.73) GAAHSP90AA1IDO1MEN1KMT2A
SCHEMBL2657071 0.76 NPC1 (0.50) IDO1KMT2ANPC1RAB9AMAP4K4
SCHEMBL6296165 0.76 NR4A2 (0.72) NR4A2HSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL9181996 0.74 NSD2 (0.58) GAANR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL11543918 0.72 SLC6A2 (0.47) GAAKMT2AKDM4ENPC1RAB9A
SCHEMBL7466638 0.72 NR4A2 (0.53) GAANR4A2MEN1KMT2AKDM4E
SCHEMBL9858688 0.72 HCAR3 (0.47) GAAKMT2AKDM4EMAPK1NPC1
SCHEMBL21593695 0.72 KDM4E (0.53) GAAHSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL6600225 0.72 LTA4H (0.58) HSP90AA1HSP90AB1IDO1PSMB5MEN1

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 GAA 3267/4885NR4A2 27/4885HSP90AA1 1428/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB GAA 3230/4885NR4A2 21/4885HSP90AA1 1404/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 GAA 3456/4885NR4A2 18/4885HSP90AA1 1417/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 GAA 3463/4885NR4A2 25/4885HSP90AA1 1421/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 GAA 3456/4885NR4A2 18/4885HSP90AA1 1417/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 GAA 3463/4885NR4A2 25/4885HSP90AA1 1421/4885

“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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