SCHEMBL20554196

SCHEMBL20554196

C=CC(=O)Nc1ccc(OCC2CCCCO2)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
GRM4 Q14833 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
BTK Q06187 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GCGR P47871 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
PDE4D Q08499 2/20 0.39
DRD4 P21917 1/20 0.39
AXL P30530 1/20 0.38
GRM5 P41594 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL20554396 0.85 PDE4D (0.47) PTPN1PTPN11PDE4DEGFRKDR
SCHEMBL20554427 0.83 PDE4D (0.46) GRM4PTPN1PTPN11PDE4DEGFR
SCHEMBL20554456 0.82 GRM4 (0.42) GRM4PTPN1PTPN11PDE4DEGFR
SCHEMBL20554377 0.79 PDE4D (0.53) KDM4EALDH1A1BTKPTPN1PTPN11
SCHEMBL20608946 0.78 GRM4 (0.45) GRM4NPC1RAB9APTPN1PTPN11
SCHEMBL20554317 0.78 PDE4D (0.47) BTKPTPN1PTPN11PDE4DEGFR
SCHEMBL20554330 0.77 PDE4D (0.48) BTKPTPN1PTPN11PDE4DEGFR
SCHEMBL20608945 0.77 PDE4D (0.48) BTKPTPN1PTPN11PDE4DEGFR
SCHEMBL20554331 0.77 PDE4D (0.48) BTKPTPN1PTPN11PDE4DEGFR
SCHEMBL30132477 0.77 PDE4D (0.48) BTKPTPN1PTPN11PDE4DEGFR

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 KDM4E 4216/4885ALDH1A1 675/4885HPGD 1475/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB KDM4E 4037/4885ALDH1A1 683/4885HPGD 1633/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 KDM4E 3428/4885ALDH1A1 816/4885HPGD 1407/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 KDM4E 3742/4885ALDH1A1 754/4885HPGD 1240/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 KDM4E 3428/4885ALDH1A1 816/4885HPGD 1407/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 KDM4E 3742/4885ALDH1A1 754/4885HPGD 1240/4885

“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.