SCHEMBL13245274

SCHEMBL13245274

CC(=O)NC[C@H](NC(=O)c1ccc(/C=C/C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
MMP13 P45452 4/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3019669 1.00 KMT2A (0.42) KMT2AMMP13MMP2MMP9MMP8
SCHEMBL3019677 1.00 KMT2A (0.42) KMT2AMMP13MMP2MMP9MMP8
SCHEMBL13245109 0.92 MMP13 (0.43) MMP13MMP2MMP9MMP8LMNA
SCHEMBL3001968 0.91 KMT2A (0.46) KMT2ALMNAMAPTTSHRMAPK1
SCHEMBL3020061 0.90 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2
SCHEMBL3013209 0.90 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2
SCHEMBL3013224 0.90 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2
SCHEMBL3020066 0.90 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2
SCHEMBL3013219 0.90 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2
SCHEMBL13244598 0.89 KMT2A (0.41) KMT2ALMNAMAPTTSHRMAPK1

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 3 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-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 (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 4779/4885MMP13 2049/4885MMP2 446/4885

“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.