SCHEMBL13245489

SCHEMBL13245489

CC[C@H](NC(=O)c1ccc(C#Cc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
HDAC1 Q13547 2/20 0.46
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 4/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 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
SCHEMBL4815641 0.85 NAMPT (0.51) NAMPTHDAC1TAS1R3TAS1R1L3MBTL1
SCHEMBL13245485 0.83 TAS1R3 (0.46) TAS1R3TAS1R1L3MBTL1ACACBALDH1A1
SCHEMBL13245366 0.81 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1ACACBALDH1A1
SCHEMBL3013330 0.81 GAA (0.46) GAARAB9A
SCHEMBL13245482 0.80 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1ACACBALDH1A1
SCHEMBL13245484 0.80 KDM4E (0.47) NAMPTTAS1R3TAS1R1L3MBTL1KMT2A
SCHEMBL3007876 0.80 NAMPT (0.49) NAMPTHDAC1L3MBTL1MEN1KMT2A
SCHEMBL13245474 0.78 GAA (0.57) TAS1R3TAS1R1L3MBTL1ACACBALDH1A1
SCHEMBL3013545 0.78 KMT2A (0.51) NAMPTHDAC1L3MBTL1KMT2AACACB
SCHEMBL23775465 0.78 ALDH1A1 (0.58) NAMPTHDAC1L3MBTL1MEN1KMT2A

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 NAMPT 1036/4885HDAC1 702/4885TAS1R3 4086/4885

“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.