SCHEMBL20554346

SCHEMBL20554346

O=[N+]([O-])c1ccc(OCC2CCC(F)(F)CC2)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 6/20 0.48
▸ MAPT P10636 11/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ HTR2C P28335 1/20 0.47

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
SCHEMBL20554482 0.81 HSP90AA1 (0.40) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL30152188 0.77 CDK2 (0.33) ALDH1A1SMN1; SMN2BRD4CASP6
SCHEMBL21816800 0.77 MAPT (0.60) CTSBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL31134014 0.76 MAPT (0.56) CTSBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL21816865 0.76 MAPT (0.58) CTSBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL27853335 0.75 MAPT (0.55) CTSBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL20554317 0.74 PDE4D (0.47) PDE4D
SCHEMBL30152290 0.74 KDM5A (0.38) CTSBPDE4DGAA
SCHEMBL23715389 0.73 KMT2A (0.59) CTSBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL20608936 0.73 MAPT (0.54) CTSBMAPTALDH1A1SMN1; SMN2KMT2A

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 CTSB 4597/4885MAPT 4512/4885ALDH1A1 675/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB CTSB 4594/4885MAPT 4590/4885ALDH1A1 683/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CTSB 4570/4885MAPT 4675/4885ALDH1A1 816/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 CTSB 4578/4885MAPT 4605/4885ALDH1A1 754/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CTSB 4570/4885MAPT 4675/4885ALDH1A1 816/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 CTSB 4578/4885MAPT 4605/4885ALDH1A1 754/4885

“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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