SCHEMBL30245577

SCHEMBL30245577

COc1cccc(COCCOCc2cc(N(Cc3cccc(OC)c3)Cc3cccc(N4CCN(C)CC4)c3)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ ABCB1 P08183 5/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ VNN1 O95497 1/20 0.38

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
SCHEMBL29194444 0.94 NPC1 (0.41) AGXTMAPTNPC1KDM4EGFER
SCHEMBL30245554 0.94 VNN1 (0.43) KDM4EQPCTDRD2HTR6ALDH1A1
SCHEMBL25254076 0.94 QPCT (0.41) AGXTMAPTNPC1KDM4EGFER
SCHEMBL30245369 0.94 QPCT (0.41) AGXTMAPTNPC1KDM4EGFER
SCHEMBL25297857 0.91 ALDH1A1 (0.41) AGXTMAPTNPC1DRD2KCNH2
SCHEMBL30245601 0.91 AGXT (0.43) AGXTMAPTNPC1KDM4EGFER
SCHEMBL25296124 0.91 NPC1 (0.38) AGXTMAPTNPC1KDM4EGFER
SCHEMBL30245164 0.91 NPC1 (0.38) AGXTMAPTNPC1KDM4EGFER
SCHEMBL30245666 0.90 ALDH1A1 (0.42) MAPTNPC1KDM4EGFERDRD2
SCHEMBL29194448 0.90 ALDH1A1 (0.42) MAPTNPC1KDM4EGFERDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 — — US claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 — — US disclosed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO 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-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV AGXT 4339/4885MAPT 4479/4885NPC1 1663/4885

“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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