SCHEMBL20828310

SCHEMBL20828310

CC(C)c1cccc(OCc2nnc(-c3ccc(N)cn3)n2C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXRA P19793 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ VCP P55072 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL30602672 1.00 ALDH1A1 (0.40) ALDH1A1TDP1KDM4ETSHRPKM
SCHEMBL20828401 0.87 ALDH1A1 (0.43) ALDH1A1TDP1KDM4ETSHRPKM
SCHEMBL22623093 0.87 NPC1 (0.47) ALDH1A1TDP1KDM4EKMT2ANPC1
SCHEMBL20832881 0.84 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ETSHRPKM
SCHEMBL22227987 0.82 VCP (0.41) ALDH1A1TDP1KDM4ETSHRPKM
SCHEMBL20828518 0.82 L3MBTL1 (0.47) ALDH1A1TDP1PKM
SCHEMBL20828305 0.78 SIRT2 (0.37) ALDH1A1PKMKMT2A
SCHEMBL30602664 0.78 SIRT2 (0.37) ALDH1A1PKMKMT2A
SCHEMBL30234297 0.78 SIRT2 (0.37) ALDH1A1PKMKMT2A
SCHEMBL20828437 0.76 MAPT (0.40) ALDH1A1TDP1KDM4ETSHRPKM

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
EP-4745129-A2 COMPOUND HAVING CYCLIC STRUCTURE Daiichi Sankyo Company, Limited (JP) 2026-05-20 — — EP disclosed
EP-3682881-B1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2026-04-01 — — EP disclosed
US-12297187-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-05-13 — — US disclosed
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 — — US disclosed
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 — — US disclosed
CN-111094255-B Compounds having cyclic structures 第一三共株式会社 2023-10-03 — — CN disclosed
US-11512067-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-11-29 — — US disclosed
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 — — US disclosed
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 — — EP disclosed
CN-111094255-A Compound having cyclic structure 第一三共株式会社 2020-05-01 — — CN disclosed
WO-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO 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 (4 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-12297187-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885TDP1 4055/4885KDM4E 1061/4885
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885TDP1 4055/4885KDM4E 1061/4885
US-11512067-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885TDP1 4055/4885KDM4E 1061/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B ALDH1A1 1019/4885TDP1 4055/4885KDM4E 1061/4885

“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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