SCHEMBL3012862

SCHEMBL3012862

Cc1cc(N2CCOCC2)ccc1C#Cc1ccc(C(=O)NC(CO)CN(O)C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.42
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 8/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3012858 0.79 — —
SCHEMBL13984586 0.71 HIF1A (0.47) KMT2ANPC1TP53RAB9AALDH1A1
SCHEMBL20299885 0.66 ACACB (0.54) ACACBALDH1A1LMNAMAPTATM
SCHEMBL20299883 0.66 ACACB (0.54) ACACBALDH1A1LMNAMAPTATM
SCHEMBL6024095 0.66 BMP1 (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL20299905 0.65 — —
SCHEMBL21889886 0.65 ACACB (0.52) ACACBMAPK1NPC1TP53PKM
SCHEMBL20299903 0.65 — —
SCHEMBL3016266 0.63 MMP2 (0.50) ACACBMAPT
SCHEMBL3011300 0.63 MMP13 (0.51) —

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 7 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-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 — — 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
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 — — EP 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ACACB 3224/4885KMT2A 4779/4885MEN1 2420/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ACACB 3224/4885KMT2A 4779/4885MEN1 2420/4885

“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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