SCHEMBL20554176

SCHEMBL20554176

NCc1ccc(Oc2ccc(Cl)cc2)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20554046 0.86 KDM4E (0.43) RAB9AKDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL20554915 0.86 KDM4E (0.38) RAB9AKDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL30132632 0.86 KDM4E (0.38) RAB9AKDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL20554811 0.86 SLC6A4 (0.43) KDM4EMAPK1GAAMAOAMAOB
SCHEMBL30132678 0.86 SLC6A4 (0.43) KDM4EMAPK1GAAMAOAMAOB
SCHEMBL20554693 0.83 BRD4 (0.46) RAB9AKDM4EMAPTMAOAMAOB
SCHEMBL30132681 0.80 RAB9A (0.45) RAB9AKDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL20554355 0.80 RAB9A (0.45) RAB9AKDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL20554745 0.78 SLC40A1 (0.37) RAB9AKDM4ESMN1; SMN2GAAMAOA
SCHEMBL30132530 0.78 SLC40A1 (0.37) RAB9AKDM4ESMN1; SMN2GAAMAOA

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 GRM4 910/4885RAB9A 3402/4885KDM4E 4216/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB GRM4 804/4885RAB9A 3497/4885KDM4E 4037/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 GRM4 702/4885RAB9A 3435/4885KDM4E 3428/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 GRM4 853/4885RAB9A 3287/4885KDM4E 3742/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 GRM4 702/4885RAB9A 3435/4885KDM4E 3428/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 GRM4 853/4885RAB9A 3287/4885KDM4E 3742/4885

“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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