SCHEMBL13267378

SCHEMBL13267378

O=C(N[C@H](C(=O)NO)c1cccs1)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HIF1A Q16665 3/20 0.48
▸ EPAS1 Q99814 3/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL13244724 0.92 MMP13 (0.48) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13984818 0.84 HIF1A (0.57) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL13267167 0.84 HIF1A (0.57) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL13267483 0.83 NPC1 (0.47) NPC1RAB9AHIF1AEPAS1HDAC1
SCHEMBL203863 0.79 ANPEP (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1109236 0.78 HDAC1 (0.53) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL13267039 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL14400854 0.77 KMT2A (0.51) NPC1HIF1AEPAS1HDAC1KMT2A
SCHEMBL13984670 0.77 KDM4E (0.55) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL9925870 0.77 KMT2A (0.51) NPC1HIF1AEPAS1HDAC1KMT2A

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 NPC1 299/4885RAB9A 509/4885SMN1; SMN2 2202/4885

“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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