SCHEMBL13245463

SCHEMBL13245463

COC(=O)C(NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(C)(C)N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ EPAS1 Q99814 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48

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
SCHEMBL13267036 0.91 KMT2A (0.54) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL13244990 0.89 KMT2A (0.53) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL3008565 0.89 MMP13 (0.50) —
SCHEMBL15235747 0.88 KMT2A (0.49) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL19684302 0.88 KMT2A (0.49) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL15235766 0.87 KMT2A (0.47) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL254976 0.86 TSHR (0.48) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL3013062 0.86 KMT2A (0.47) KMT2AMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL13984782 0.85 MMP2 (0.49) —
SCHEMBL13245418 0.85 MMP2 (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
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 KMT2A 4779/4885MAPK1 2069/4885SMN1; 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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