SCHEMBL1960400

SCHEMBL1960400

COc1ccc(C(C#N)=Cc2ccc(N3CCOCC3)s2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.76
▸ ABCG2 Q9UNQ0 1/20 0.76
▸ ALDH1A1 P00352 10/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ HPGD P15428 6/20 0.47
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPT P10636 7/20 0.44
▸ PKM P14618 5/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL1960397 1.00 ABCB1 (0.76) ABCB1ABCG2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1959112 0.89 ABCB1 (0.79) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1959109 0.89 ABCB1 (0.79) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1958502 0.88 ABCB1 (0.77) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1958058 0.88 ABCB1 (0.77) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1958501 0.88 ABCB1 (0.77) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1959409 0.88 ABCB1 (0.77) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1959412 0.88 ABCB1 (0.77) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1958060 0.88 ABCB1 (0.77) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1957193 0.87 ABCB1 (0.76) ABCB1ABCG2ALDH1A1SMN1; SMN2MEN1

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 10 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
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US 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 ABCB1 2/4885ABCG2 7/4885ALDH1A1 112/4885

“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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