SCHEMBL2816396

SCHEMBL2816396

COc1ccc(/C(C#N)=C/c2ccc(N3CCC(OC(=O)CN4CCC(OS(C)(=O)=O)CC4)CC3)s2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ MAPT P10636 4/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PTPN12 Q05209 1/20 0.33
▸ PTPN22 Q9Y2R2 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 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
SCHEMBL2816397 0.94 ABCB1 (0.72) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2816395 0.94 ABCB1 (0.72) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2814965 0.92 ABCB1 (0.64) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2813741 0.92 ABCB1 (0.64) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2813739 0.92 ABCB1 (0.64) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2814966 0.92 ABCB1 (0.64) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2812616 0.92 ABCB1 (0.76) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2815844 0.92 ABCB1 (0.76) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2816073 0.92 ABCB1 (0.63) ABCB1ABCG2MAPTCYP2D6CYP2C19
SCHEMBL2815866 0.92 ABCB1 (0.63) ABCB1ABCG2MAPTCYP2D6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249089-A1 ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2010-09-30 — — US disclosed
EP-2218719-A1 ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2010-08-18 — — 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-20100249089-A1 ABCG2 INHIBITOR ABCC1, ABCB1, ABCC5 ABCB1 2/4885ABCG2 7/4885MAPT 3336/4885

“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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