SCHEMBL1958723

SCHEMBL1958723

COc1ccc(/C(C#N)=C/c2ccc(N3CCC(OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)CC3)o2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MAPT P10636 15/20 0.42
▸ ALDH1A1 P00352 14/20 0.42
▸ KMT2A Q03164 14/20 0.42
▸ MEN1 O00255 13/20 0.42
▸ RAB9A P51151 9/20 0.42
▸ PKM P14618 8/20 0.42
▸ HPGD P15428 8/20 0.42
▸ NPSR1 Q6W5P4 7/20 0.42
▸ TDP1 Q9NUW8 6/20 0.42
▸ ALOX12 P18054 4/20 0.42
▸ RECQL P46063 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ KDM4E B2RXH2 9/20 0.42
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ HTT P42858 6/20 0.42

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
SCHEMBL1958724 1.00 ABCB1 (0.44) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1957520 0.89 ABCB1 (0.49) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1957521 0.89 ABCB1 (0.49) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1959688 0.88 ABCB1 (0.48) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1959687 0.86 ABCB1 (0.50) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1959690 0.86 ABCB1 (0.50) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1960302 0.83 ABCB1 (0.66) ABCB1ABCG2MAPTKMT2AMEN1
SCHEMBL1960303 0.83 ABCB1 (0.66) ABCB1ABCG2MAPTKMT2AMEN1
SCHEMBL1959559 0.80 ABCB1 (0.64) ABCB1ABCG2MAPTALDH1A1KMT2A
SCHEMBL1959558 0.80 ABCB1 (0.64) ABCB1ABCG2MAPTALDH1A1KMT2A

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 5 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 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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