SCHEMBL1960865

SCHEMBL1960865

COc1ccc(/C(C#N)=C/c2ccc(N3CCC(O)CC3)s2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 1.00
▸ ABCG2 Q9UNQ0 1/20 1.00
▸ PDE4B Q07343 2/20 0.43
▸ TUBB4A P04350 4/20 0.41
▸ TUBB P07437 4/20 0.41
▸ TUBA3C P0DPH7 4/20 0.41
▸ TUBA1B P68363 4/20 0.41
▸ TUBA4A P68366 4/20 0.41
▸ TUBB4B P68371 4/20 0.41
▸ TUBB3 Q13509 4/20 0.41
▸ TUBB2A Q13885 4/20 0.41
▸ TUBB8 Q3ZCM7 4/20 0.41
▸ TUBA3E Q6PEY2 4/20 0.41
▸ TUBA1A Q71U36 4/20 0.41
▸ TUBA1C Q9BQE3 4/20 0.41
▸ TUBB6 Q9BUF5 4/20 0.41
▸ TUBB2B Q9BVA1 4/20 0.41
▸ TUBB1 Q9H4B7 4/20 0.41
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1960866 1.00 ABCB1 (1.00) ABCB1ABCG2PDE4BTUBB4ATUBB
SCHEMBL29398276 1.00 ABCB1 (1.00) ABCB1ABCG2PDE4BTUBB4ATUBB
Hydrochloric Acid SCHEMBL1960476 0.99 ABCB1 (0.98) ABCB1ABCG2PDE4BTUBB4ATUBB
Hydrochloric Acid SCHEMBL1960471 0.99 ABCB1 (0.98) ABCB1ABCG2PDE4BTUBB4ATUBB
SCHEMBL1959109 0.88 ABCB1 (0.79) ABCB1ABCG2PDE4BTUBB4ATUBB
SCHEMBL1959112 0.88 ABCB1 (0.79) ABCB1ABCG2PDE4BTUBB4ATUBB
SCHEMBL2812616 0.87 ABCB1 (0.76) ABCB1ABCG2PDE4BTUBB4ATUBB
SCHEMBL2815844 0.87 ABCB1 (0.76) ABCB1ABCG2PDE4BTUBB4ATUBB
SCHEMBL1958501 0.87 ABCB1 (0.77) ABCB1ABCG2PDE4BTUBB4ATUBB
Hydrochloric Acid SCHEMBL1958058 0.87 ABCB1 (0.77) ABCB1ABCG2PDE4BTUBB4ATUBB

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 13 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-1786773-B1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RES TECH LTD (GB) 2017-03-01 — — EP disclosed
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-20100249089-A1 ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2010-09-30 — — US disclosed
EP-2218719-A1 ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2010-08-18 — — 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 (2 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-20100249089-A1 ABCG2 INHIBITOR ABCC1, ABCB1, ABCC5 ABCB1 2/4885ABCG2 7/4885PDE4B 4244/4885
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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