SCHEMBL22228058

SCHEMBL22228058

[N-]=[N+]=NC1CC(N2C(=O)c3ccccc3C2=O)CC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ IKZF3 Q9UKT9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL30602670 1.00 L3MBTL1 (0.36) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL17981262 0.74 TSHR (0.38) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL22623141 0.74 L3MBTL1 (0.31) L3MBTL1
SCHEMBL22228040 0.74 L3MBTL1 (0.31) L3MBTL1
SCHEMBL16415479 0.73 L3MBTL1 (0.45) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL29831908 0.73 L3MBTL1 (0.45) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL19662738 0.73 L3MBTL1 (0.45) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL19662741 0.73 L3MBTL1 (0.45) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL14010317 0.73 TSHR (0.41) L3MBTL1TSHRKMT2ACCR5ALDH1A1
SCHEMBL14036108 0.73 TSHR (0.41) L3MBTL1TSHRKMT2ACCR5ALDH1A1

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 8 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-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

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 L3MBTL1 3800/4885TSHR 1614/4885KMT2A 1805/4885
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B L3MBTL1 3800/4885TSHR 1614/4885KMT2A 1805/4885
US-11512067-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B L3MBTL1 3800/4885TSHR 1614/4885KMT2A 1805/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B L3MBTL1 3800/4885TSHR 1614/4885KMT2A 1805/4885

“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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