SCHEMBL20554646

SCHEMBL20554646

N#Cc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ P2RY1 P47900 4/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ AR P10275 2/20 0.39
▸ PPP1CA P62136 1/20 0.39

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
SCHEMBL30132479 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2P2RY1CYP1A2CYP2C9
SCHEMBL20554517 0.87 ELANE (0.43) ALDH1A1SMN1; SMN2ELANESCN9ACYP19A1
SCHEMBL20554722 0.82 CYP19A1 (0.51) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL30132665 0.82 CYP19A1 (0.51) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL20554052 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ELANESCN9ACYP19A1
SCHEMBL20554633 0.80 SCN9A (0.39) ELANEPOLBSCN9AAR
SCHEMBL20554643 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SCN9ACYP19A1AR
SCHEMBL30132569 0.79 L3MBTL1 (0.46) ALDH1A1P2RY1POLBL3MBTL1KMT2A
SCHEMBL20608927 0.79 L3MBTL1 (0.46) ALDH1A1P2RY1POLBL3MBTL1KMT2A
SCHEMBL30132557 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SCN9ACYP19A1AR

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 ALDH1A1 675/4885SMN1; SMN2 796/4885P2RY1 724/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB ALDH1A1 683/4885SMN1; SMN2 813/4885P2RY1 657/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALDH1A1 816/4885SMN1; SMN2 864/4885P2RY1 480/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ALDH1A1 754/4885SMN1; SMN2 845/4885P2RY1 535/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALDH1A1 816/4885SMN1; SMN2 864/4885P2RY1 480/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ALDH1A1 754/4885SMN1; SMN2 845/4885P2RY1 535/4885

“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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