SCHEMBL1959904

SCHEMBL1959904

COc1ccc(/C(C#N)=C/c2ccncc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ RECQL P46063 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ EGFR P00533 1/20 0.62
▸ PDGFRB P09619 1/20 0.62
▸ PDGFRA P16234 1/20 0.62
▸ TUBB4A P04350 4/20 0.54
▸ TUBB P07437 4/20 0.54
▸ TUBA3C P0DPH7 4/20 0.54
▸ TUBA1B P68363 4/20 0.54
▸ TUBA4A P68366 4/20 0.54
▸ TUBB4B P68371 4/20 0.54
▸ TUBB3 Q13509 4/20 0.54
▸ TUBB2A Q13885 4/20 0.54
▸ TUBB8 Q3ZCM7 4/20 0.54
▸ TUBA3E Q6PEY2 4/20 0.54
▸ TUBA1A Q71U36 4/20 0.54
▸ TUBA1C Q9BQE3 4/20 0.54
▸ TUBB6 Q9BUF5 4/20 0.54
▸ TUBB2B Q9BVA1 4/20 0.54

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
SCHEMBL1959906 1.00 SMN1; SMN2 (0.62) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1959671 0.99 SMN1; SMN2 (0.60) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1959669 0.99 SMN1; SMN2 (0.60) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL1957258 0.93 RECQL (0.55) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL1957259 0.93 RECQL (0.55) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6904792 0.90 PDE4A (0.55) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6904789 0.90 PDE4A (0.55) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL8400535 0.86 RECQL (0.57) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL8400533 0.86 RECQL (0.57) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL4996875 0.85 RECQL (0.67) SMN1; SMN2RECQLHIF1AEGFRPDGFRB

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 9 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
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 SMN1; SMN2 4826/4885RECQL 363/4885HIF1A 929/4885

“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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