SCHEMBL1959686

SCHEMBL1959686

COc1ccc(/C(C#N)=C/c2cc3ccccc3c3ccccc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.46
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ ABCB1 P08183 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ TUBB4A P04350 3/20 0.44
▸ TUBB P07437 3/20 0.44
▸ TUBA3C P0DPH7 3/20 0.44
▸ TUBA1B P68363 3/20 0.44
▸ TUBA4A P68366 3/20 0.44
▸ TUBB4B P68371 3/20 0.44
▸ TUBB3 Q13509 3/20 0.44

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
SCHEMBL1959689 1.00 PDE4B (0.46) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL5613889 0.86 KDM4E (0.49) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL5613888 0.86 KDM4E (0.49) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4998763 0.80 TUBB4A (0.51) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4998760 0.80 TUBB4A (0.51) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL1960180 0.79 CYP1A2 (0.53) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL1960179 0.79 CYP1A2 (0.53) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL20468563 0.79 KIF20A (0.57) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL20468535 0.79 MAOB (0.48) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL1958432 0.79 TUBB4A (0.46) PDE4BRECQLSMN1; SMN2HIF1AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4B 4786/4885RECQL 363/4885SMN1; SMN2 4826/4885

“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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