SCHEMBL1959900

SCHEMBL1959900

COc1ccc(C(C#N)=Cc2ccc(N3CCOCC3)o2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.69
ALDH1A1 P00352 15/20 0.69
KMT2A Q03164 15/20 0.69
MEN1 O00255 14/20 0.69
SMN1; SMN2 Q16637 10/20 0.69
RAB9A P51151 10/20 0.69
KDM4E B2RXH2 10/20 0.69
NPC1 O15118 9/20 0.69
HPGD P15428 9/20 0.69
PKM P14618 8/20 0.69
NPSR1 Q6W5P4 8/20 0.69
TDP1 Q9NUW8 6/20 0.69
LMNA P02545 5/20 0.69
RECQL P46063 4/20 0.69
HTT P42858 6/20 0.66
ALOX12 P18054 4/20 0.66
ATM Q13315 3/20 0.66
THRB P10828 3/20 0.65
GAA P10253 3/20 0.65
TP53 P04637 2/20 0.53

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
SCHEMBL1959899 1.00 MAPT (0.69) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1957579 0.90 MAPT (0.65) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1957583 0.90 MAPT (0.65) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1957931 0.89 MAPT (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1957933 0.89 MAPT (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4523065 0.88 MAPT (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4523074 0.88 MAPT (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1959558 0.88 ABCB1 (0.64) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1959559 0.88 ABCB1 (0.64) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1959075 0.85 MAPT (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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 MAPT 3660/4885ALDH1A1 112/4885KMT2A 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.