SCHEMBL1960049

SCHEMBL1960049

CCN(CC)c1ccc(N=C(CCC(=O)OC2CCN(c3ccc(C=C(C#N)c4ccc(OC)c(OC)c4)s3)CC2)OC2CCN(c3ccc(C=C(C#N)c4ccc(OC)c(OC)c4)s3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PDE4B Q07343 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HTT P42858 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL1958134 0.88 ABCB1 (0.57) ABCB1ABCG2MAPTALDH1A1HPGD
SCHEMBL1958136 0.88 ABCB1 (0.57) ABCB1ABCG2MAPTALDH1A1HPGD
SCHEMBL1959053 0.86 ABCB1 (0.58) ABCB1ABCG2MAPTPDE4BHTT
Hydrochloric Acid SCHEMBL4532441 0.86 ABCB1 (0.57) ABCB1ABCG2MAPTPDE4BHTT
SCHEMBL1956913 0.85 ABCB1 (0.56) ABCB1ABCG2MAPTALDH1A1PDE4B
Hydrochloric Acid SCHEMBL1959097 0.85 ABCB1 (0.56) ABCB1ABCG2MAPTALDH1A1PDE4B
SCHEMBL1957233 0.84 ABCB1 (0.69) ABCB1ABCG2MAPTALDH1A1HPGD
SCHEMBL1957234 0.84 ABCB1 (0.69) ABCB1ABCG2MAPTALDH1A1HPGD
SCHEMBL1956828 0.83 ABCB1 (0.68) ABCB1ABCG2MAPTPDE4BHTT
SCHEMBL1956827 0.83 ABCB1 (0.68) ABCB1ABCG2MAPTPDE4BHTT

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 10 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
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — 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 7/4885MAPT 3660/4885

“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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