SCHEMBL3018975

SCHEMBL3018975

O=C(NCC(=O)N(O)C1CC1)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ MMP13 P45452 6/20 0.52
▸ MMP2 P08253 5/20 0.52
▸ MMP8 P22894 5/20 0.52
▸ MMP9 P14780 4/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ EPAS1 Q99814 1/20 0.50
▸ TSHR P16473 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
SCHEMBL3017442 0.79 KMT2A (0.65) ALDH1A1KDM4EMMP13MMP2MMP8
SCHEMBL3015924 0.77 KMT2A (0.57) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL255145 0.74 MMP13 (0.57) ALDH1A1MMP13MMP2MMP8MMP9
SCHEMBL23014409 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL27805648 0.73 MMP13 (0.56) MMP13MMP2MMP8MMP9
SCHEMBL13244708 0.73 KDM4E (0.58) ALDH1A1KDM4EMMP13MMP2MMP8
SCHEMBL254538 0.72 RAB9A (0.63) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL254974 0.72 MAPK1 (0.70) MMP13MMP2MMP8MMP9KMT2A
SCHEMBL3018972 0.72 MMP13 (0.56) MMP13MMP2MMP8MMP9
SCHEMBL3018980 0.72 MMP13 (0.56) MMP13MMP2MMP8MMP9

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 ALDH1A1 687/4885KDM4E 4299/4885MMP13 2049/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ALDH1A1 687/4885KDM4E 4299/4885MMP13 2049/4885

“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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