SCHEMBL3016808

SCHEMBL3016808

COC(=O)C(NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ EPAS1 Q99814 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MMP2 P08253 3/20 0.47
▸ MMP8 P22894 3/20 0.47
▸ MMP13 P45452 3/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 2/20 0.46

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
SCHEMBL3016806 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL13244669 0.95 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL3020468 0.94 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL3020471 0.94 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL3002329 0.93 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL13984746 0.92 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL13266891 0.92 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A
SCHEMBL3015751 0.88 MMP13 (0.52) MMP2MMP8MMP13MMP9
SCHEMBL3015745 0.88 MMP13 (0.52) MMP2MMP8MMP13MMP9
SCHEMBL13266873 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1HIF1AEPAS1KMT2A

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 6 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
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 (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 SMN1; SMN2 2202/4885MAPK1 2069/4885HIF1A 2073/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885MAPK1 2069/4885HIF1A 2073/4885

“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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