SCHEMBL1956955

SCHEMBL1956955

COc1ccc(C(C#N)=Cc2ccc3ccccc3n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.54
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL1956953 1.00 GLA (0.54) GLANPC1RAB9AKDM4EMAPT
SCHEMBL16180419 0.88 TUBB4A (0.54) GLANPC1RAB9AKDM4EMAPT
SCHEMBL16180418 0.88 TUBB4A (0.54) GLANPC1RAB9AKDM4EMAPT
SCHEMBL17576071 0.88 GLA (0.45) GLANPC1RAB9AKDM4EMAPT
SCHEMBL20101492 0.84 TUBB4A (0.47) GLANPC1RAB9AKDM4EMAPT
SCHEMBL16180542 0.84 KDM4E (0.53) GLANPC1RAB9AKDM4EMAPT
SCHEMBL16180543 0.84 KDM4E (0.53) GLANPC1RAB9AKDM4EMAPT
SCHEMBL20106756 0.82 TUBB4A (0.45) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL1959652 0.81 MAPT (0.70) NPC1RAB9AKDM4EMAPTL3MBTL1
SCHEMBL1959650 0.81 MAPT (0.70) NPC1RAB9AKDM4EMAPTL3MBTL1

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 GLA 4703/4885NPC1 59/4885RAB9A 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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