SCHEMBL1959075

SCHEMBL1959075

COc1ccc(/C(C#N)=C/c2ccc(N3CCN(CCO)CC3)o2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.50
KMT2A Q03164 13/20 0.50
ALDH1A1 P00352 12/20 0.50
MEN1 O00255 12/20 0.50
PKM P14618 8/20 0.50
HPGD P15428 8/20 0.50
RAB9A P51151 8/20 0.50
NPSR1 Q6W5P4 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 7/20 0.50
KDM4E B2RXH2 7/20 0.50
LMNA P02545 7/20 0.50
TDP1 Q9NUW8 5/20 0.50
RECQL P46063 2/20 0.50
ALOX12 P18054 4/20 0.48
HSP90AA1 P07900 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
S1PR2 O95136 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL1959077 1.00 MAPT (0.50) MAPTKMT2AALDH1A1MEN1PKM
Hydrochloric Acid SCHEMBL1958335 0.99 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1PKM
Hydrochloric Acid SCHEMBL1958333 0.99 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1957931 0.89 MAPT (0.54) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1957933 0.89 MAPT (0.54) MAPTKMT2AALDH1A1MEN1PKM
Hydrochloric Acid SCHEMBL4523065 0.88 MAPT (0.53) MAPTKMT2AALDH1A1MEN1PKM
Hydrochloric Acid SCHEMBL4523074 0.88 MAPT (0.53) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1957579 0.86 MAPT (0.65) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1957583 0.86 MAPT (0.65) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1959899 0.85 MAPT (0.69) MAPTKMT2AALDH1A1MEN1PKM

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 3660/4885KMT2A 1946/4885ALDH1A1 112/4885

“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.