SCHEMBL1959563

SCHEMBL1959563

CCN(CC)CCN(C)C(=O)CCC(=O)OC1CCN(c2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ PDE4B Q07343 3/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ RAD52 P43351 2/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ ACHE P22303 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL1959560 1.00 ABCB1 (0.59) ABCB1ABCG2PDE4BKMT2ARAD52
Hydrochloric Acid SCHEMBL1957331 0.99 ABCB1 (0.59) ABCB1ABCG2PDE4BKMT2ARAD52
Hydrochloric Acid SCHEMBL1958467 0.99 ABCB1 (0.59) ABCB1ABCG2PDE4BKMT2ARAD52
SCHEMBL1959056 0.88 ABCB1 (0.59) ABCB1ABCG2PDE4BKMT2ARAD52
SCHEMBL1959052 0.88 ABCB1 (0.59) ABCB1ABCG2PDE4BKMT2ARAD52
Hydrochloric Acid SCHEMBL1958785 0.87 ABCB1 (0.58) ABCB1ABCG2PDE4BKMT2ARAD52
SCHEMBL1959053 0.87 ABCB1 (0.58) ABCB1ABCG2PDE4BKMT2ARAD52
Hydrochloric Acid SCHEMBL1958788 0.87 ABCB1 (0.58) ABCB1ABCG2PDE4BKMT2ARAD52
SCHEMBL1956827 0.87 ABCB1 (0.68) ABCB1ABCG2PDE4BKMT2ARAD52
SCHEMBL1956828 0.87 ABCB1 (0.68) ABCB1ABCG2PDE4BKMT2ARAD52

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 5 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

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 7/4885PDE4B 4786/4885

“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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