SCHEMBL3020169

SCHEMBL3020169

COC(=O)[C@@H](NC(=O)c1ccc(N2CCN(c3ccc(CN4CCOCC4)cc3)CC2)cc1)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
EPAS1 Q99814 2/20 0.52
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
STAT3 P40763 1/20 0.50
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL13984736 1.00 KMT2A (0.57) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL18712225 0.92 KMT2A (0.59) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL1109094 0.92 KMT2A (0.59) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL3013552 0.92 KMT2A (0.59) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL13244623 0.92 KMT2A (0.59) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL14400805 0.92 KMT2A (0.59) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL13984811 0.91 KMT2A (0.50) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL3008168 0.91 KMT2A (0.50) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL3016630 0.91 KMT2A (0.50) KMT2ASMN1; SMN2MAPK1TSHRHIF1A
SCHEMBL3018605 0.89 KMT2A (0.56) KMT2ASMN1; SMN2MAPK1TSHRHIF1A

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
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US 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 KMT2A 4779/4885SMN1; SMN2 2202/4885MAPK1 2069/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885SMN1; SMN2 2202/4885MAPK1 2069/4885

“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.