SCHEMBL1958945

SCHEMBL1958945

COc1ccc(C(C#N)=Cc2cccnc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ RECQL P46063 1/20 0.74
▸ HIF1A Q16665 1/20 0.74
▸ EGFR P00533 1/20 0.74
▸ PDGFRB P09619 1/20 0.74
▸ PDGFRA P16234 1/20 0.74
▸ KDM4E B2RXH2 3/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ POLB P06746 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ MAPT P10636 4/20 0.61
▸ CYP1A1 P04798 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58
▸ DYRK1A Q13627 5/20 0.57
▸ CLK1 P49759 4/20 0.57
▸ KIF20A O95235 4/20 0.57
▸ CLK2 P49760 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51

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
SCHEMBL1958941 1.00 SMN1; SMN2 (0.74) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1957929 0.99 SMN1; SMN2 (0.72) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1957927 0.99 SMN1; SMN2 (0.72) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL1959494 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL31060645 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL241869 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL29800237 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL1959904 0.84 SMN1; SMN2 (0.62) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL1959906 0.84 SMN1; SMN2 (0.62) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL8400535 0.84 RECQL (0.57) 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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