SCHEMBL13245461

SCHEMBL13245461

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

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
HSP90AA1 P07900 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
STAT3 P40763 1/20 0.50
RAB9A P51151 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50

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
SCHEMBL13654204 0.93 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13018959 0.93 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL400307 0.93 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13244735 0.91 KMT2A (0.53) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13244511 0.89 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13245353 0.89 LMNA (0.51) KDM4ELMNA
SCHEMBL13245364 0.86 KMT2A (0.54) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13244990 0.84 KMT2A (0.53) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3020468 0.84 SMN1; SMN2 (0.53) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3020471 0.84 SMN1; SMN2 (0.53) KMT2AMAPK1SMN1; SMN2TSHRHIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4779/4885MAPK1 2069/4885SMN1; SMN2 2202/4885

“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.