SCHEMBL1958136

SCHEMBL1958136

CCN(CC)c1ccc(NC(=O)CCC(=O)OC2CCN(c3ccc(C=C(C#N)c4ccc(OC)c(OC)c4)s3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ MAPT P10636 5/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ GAA P10253 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HDAC1 Q13547 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
SCHEMBL1958134 1.00 ABCB1 (0.57) ABCB1ABCG2KMT2AMEN1POLB
SCHEMBL1960049 0.88 ABCB1 (0.56) ABCB1ABCG2KMT2AMEN1ALDH1A1
SCHEMBL1959056 0.86 ABCB1 (0.59) ABCB1ABCG2KMT2APOLBALDH1A1
SCHEMBL1959052 0.86 ABCB1 (0.59) ABCB1ABCG2KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL1958788 0.85 ABCB1 (0.58) ABCB1ABCG2KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL1958785 0.85 ABCB1 (0.58) ABCB1ABCG2KMT2APOLBALDH1A1
SCHEMBL1956912 0.85 ABCB1 (0.57) ABCB1ABCG2KMT2AMEN1POLB
SCHEMBL1956914 0.85 ABCB1 (0.57) ABCB1ABCG2KMT2AMEN1POLB
SCHEMBL18543731 0.85 ABCB1 (0.57) ABCB1ABCG2KMT2AMEN1POLB
SCHEMBL1957233 0.85 ABCB1 (0.69) ABCB1ABCG2KMT2AMEN1ALDH1A1

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 7/4885KMT2A 1946/4885

“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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