SCHEMBL1958342

SCHEMBL1958342

COc1ccc(C(C#N)=Cc2ccc(N3CCC(OC(=O)CN(C)C)CC3)s2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.69
▸ ABCG2 Q9UNQ0 1/20 0.69
▸ PDE4B Q07343 2/20 0.39
▸ ELANE P08246 1/20 0.37
▸ ACKR3 P25106 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ PTPN12 Q05209 1/20 0.34
▸ PTPN22 Q9Y2R2 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1958340 1.00 ABCB1 (0.69) ABCB1ABCG2PDE4BELANEACKR3
Hydrochloric Acid SCHEMBL1961488 0.99 ABCB1 (0.68) ABCB1ABCG2PDE4BELANEACKR3
Hydrochloric Acid SCHEMBL1961487 0.99 ABCB1 (0.68) ABCB1ABCG2PDE4BELANEACKR3
SCHEMBL1956828 0.93 ABCB1 (0.68) ABCB1ABCG2PDE4BELANELMNA
SCHEMBL1956827 0.93 ABCB1 (0.68) ABCB1ABCG2PDE4BELANELMNA
SCHEMBL1959928 0.92 ABCB1 (0.59) ABCB1ABCG2PDE4BELANELMNA
SCHEMBL1959930 0.92 ABCB1 (0.59) ABCB1ABCG2PDE4BELANELMNA
Hydrochloric Acid SCHEMBL1959182 0.92 ABCB1 (0.67) ABCB1ABCG2PDE4BELANELMNA
Hydrochloric Acid SCHEMBL1959181 0.92 ABCB1 (0.67) ABCB1ABCG2PDE4BELANELMNA
SCHEMBL13172918 0.91 ABCB1 (0.72) ABCB1ABCG2PDE4BLMNAMAPT

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 7/4885PDE4B 4786/4885

“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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