SCHEMBL1959652

SCHEMBL1959652

COc1ccc(C(C#N)=Cc2ccccn2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.70
▸ KDM4E B2RXH2 6/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ HTT P42858 3/20 0.53
▸ EGFR P00533 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ IGF1R P08069 1/20 0.49
▸ IGF2R P11717 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ PDE4B Q07343 2/20 0.47

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
SCHEMBL1959650 1.00 MAPT (0.70) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL3143837 0.83 RAB9A (1.00) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL3143831 0.83 RAB9A (1.00) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL1956953 0.81 GLA (0.54) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL1956955 0.81 GLA (0.54) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL8400533 0.80 RECQL (0.57) MAPTEGFRSMN1; SMN2RECQLHIF1A
SCHEMBL8400535 0.80 RECQL (0.57) MAPTEGFRSMN1; SMN2RECQLHIF1A
SCHEMBL1959904 0.77 SMN1; SMN2 (0.62) MAPTEGFRSMN1; SMN2RECQLHIF1A
SCHEMBL1959906 0.77 SMN1; SMN2 (0.62) MAPTEGFRSMN1; SMN2RECQLHIF1A
SCHEMBL1957465 0.77 GCGR (0.48) MAPTKDM4ERAB9ANPC1L3MBTL1

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 MAPT 3660/4885KDM4E 4298/4885RAB9A 3142/4885

“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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