SCHEMBL13267513

SCHEMBL13267513

O=C(N[C@H](C(=O)NO)C1CCOCC1)c1ccc(/C=C/c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 6/20 0.50
▸ EPAS1 Q99814 6/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL13266917 0.97 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13266949 0.92 KDM4E (0.54) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13267514 0.92 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13245276 0.90 MMP13 (0.47) KDM4E
SCHEMBL3007908 0.89 MMP13 (0.55) —
SCHEMBL13984670 0.89 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13266889 0.89 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13245313 0.86 MMP13 (0.47) KDM4E
SCHEMBL3018972 0.86 MMP13 (0.56) —
SCHEMBL3018980 0.86 MMP13 (0.56) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KDM4E 4299/4885NPC1 299/4885RAB9A 509/4885

“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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