SCHEMBL29462407

SCHEMBL29462407

COC(=O)CN(C)C(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.43
▸ ITGB6 P18564 1/20 0.43
▸ ITGB8 P26012 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ HTT P42858 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ SOS1 Q07889 2/20 0.38
▸ TEK Q02763 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21821308 1.00 ITGA5 (0.43) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19284026 0.91 ITGA5 (0.48) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283618 0.91 ITGA5 (0.44) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL21821320 0.90 ITGA5 (0.42) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283637 0.89 ITGA5 (0.47) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283701 0.89 ITGA5 (0.43) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL20743128 0.89 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL30645012 0.89 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283650 0.88 ITGA5 (0.44) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283502 0.87 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2NPC1

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-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US claimed
US-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US 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-11274092-B2 Potassium channel inhibitors KCNJ2, KCNJ11, KCNJ1 ITGA5 2293/4885ITGB6 2913/4885ITGB8 3978/4885

“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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