SCHEMBL2812616

SCHEMBL2812616

COc1ccc(C(C#N)=Cc2ccc(N3CCC(OC(=O)CN4CCC(O)CC4)CC3)s2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.76
▸ ABCG2 Q9UNQ0 1/20 0.76
▸ PDE4B Q07343 5/20 0.38
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL2815844 1.00 ABCB1 (0.76) ABCB1ABCG2PDE4BMAPTALDH1A1
Hydrochloric Acid SCHEMBL2812613 0.99 ABCB1 (0.75) ABCB1ABCG2PDE4BMAPTALDH1A1
Hydrochloric Acid SCHEMBL2812617 0.99 ABCB1 (0.75) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2816397 0.97 ABCB1 (0.72) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2816395 0.97 ABCB1 (0.72) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2814572 0.94 ABCB1 (0.68) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2817818 0.94 ABCB1 (0.68) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2814569 0.94 ABCB1 (0.68) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2817822 0.94 ABCB1 (0.68) ABCB1ABCG2PDE4BMAPTALDH1A1
SCHEMBL2814642 0.93 ABCB1 (0.67) ABCB1ABCG2PDE4BMAPTALDH1A1

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 4 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 claimed
EP-2218719-A1 ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2010-08-18 — — EP claimed
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 7/4885PDE4B 4244/4885

“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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