SCHEMBL13245281

SCHEMBL13245281

O=C(N[C@H](C(=O)NO)c1ccccc1)c1ccc(/C=C/C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL3007221 0.90 HIF1A (0.54) HIF1AEPAS1ALDH1A1
SCHEMBL3007224 0.90 HIF1A (0.54) HIF1AEPAS1ALDH1A1
SCHEMBL13267197 0.90 HIF1A (0.55) HIF1AEPAS1ALDH1A1MEN1HTT
SCHEMBL3018715 0.85 MMP13 (0.44) —
SCHEMBL3014393 0.85 MMP13 (0.44) —
SCHEMBL3018729 0.85 MMP13 (0.44) —
SCHEMBL13244680 0.85 MMP13 (0.44) —
SCHEMBL3014407 0.85 MMP13 (0.44) —
SCHEMBL13244572 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL13244524 0.85 MMP13 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HIF1A 2073/4885EPAS1 3545/4885ALDH1A1 687/4885

“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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