SCHEMBL1960637

SCHEMBL1960637

COc1ccc(/C(C#N)=C/c2ccc(N3CCC(OC(=O)CCC(=O)N4CCC(N5CCCCC5)CC4)CC3)s2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ KDM4E B2RXH2 4/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDE4B Q07343 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL1959859 0.99 ABCB1 (0.58) ABCB1ABCG2KDM4ETLR9TLR8
Hydrochloric Acid SCHEMBL1959512 0.99 ABCB1 (0.58) ABCB1ABCG2KDM4ETLR9TLR8
SCHEMBL1957234 0.86 ABCB1 (0.69) ABCB1ABCG2KDM4EALDH1A1MEN1
SCHEMBL1957233 0.86 ABCB1 (0.69) ABCB1ABCG2KDM4EALDH1A1MEN1
SCHEMBL2812936 0.84 ABCB1 (0.67) ABCB1ABCG2ALDH1A1MEN1KMT2A
SCHEMBL2815690 0.84 ABCB1 (0.67) ABCB1ABCG2ALDH1A1MEN1KMT2A
SCHEMBL2814642 0.84 ABCB1 (0.67) ABCB1ABCG2ALDH1A1MEN1KMT2A
SCHEMBL2816331 0.84 ABCB1 (0.67) ABCB1ABCG2ALDH1A1MEN1KMT2A
SCHEMBL1956866 0.84 ABCB1 (0.67) ABCB1ABCG2KDM4EALDH1A1MEN1
SCHEMBL2814637 0.84 ABCB1 (0.67) ABCB1ABCG2ALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US claimed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP claimed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — 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 (1 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 ABCB1 2/4885ABCG2 7/4885KDM4E 4298/4885

“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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