SCHEMBL1959112

SCHEMBL1959112

COc1ccc(C(C#N)=Cc2ccc(N3CCCCC3)s2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.79
▸ ABCG2 Q9UNQ0 1/20 0.79
▸ MAPT P10636 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 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
SCHEMBL1959109 1.00 ABCB1 (0.79) ABCB1ABCG2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1958060 0.99 ABCB1 (0.77) ABCB1ABCG2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1958058 0.99 ABCB1 (0.77) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL1959409 0.90 ABCB1 (0.77) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL1959412 0.90 ABCB1 (0.77) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL1958501 0.90 ABCB1 (0.77) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL1958502 0.90 ABCB1 (0.77) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL1960400 0.89 ABCB1 (0.76) ABCB1ABCG2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1957193 0.89 ABCB1 (0.76) ABCB1ABCG2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1957190 0.89 ABCB1 (0.76) ABCB1ABCG2MAPTMEN1KMT2A

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 7/4885MAPT 3660/4885

“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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