SCHEMBL13655004

SCHEMBL13655004

C=C(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(C#Cc2ccc(NC(=O)CNCCc3ccncc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL13659497 0.93 KDM4E (0.41) ADRB1ADRB3KDM4EALDH1A1HDAC1
SCHEMBL399307 0.92 NAMPT (0.41) ADRB1ADRB3KDM4EALDH1A1HDAC2
SCHEMBL13654999 0.91 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL13655001 0.90 HIF1A (0.42) ADRB1ADRB3HDAC1HDAC2
SCHEMBL13659667 0.84 KDM4E (0.51) KDM4EALDH1A1
SCHEMBL10286662 0.84 NAMPT (0.43) ADRB1ADRB3KDM4EALDH1A1HDAC1
SCHEMBL404283 0.83 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL461339 0.83 HDAC1 (0.48) HDAC1HDAC2
SCHEMBL13659688 0.83 ADRB3 (0.42) ADRB1ADRB3HDAC1HDAC2
SCHEMBL403647 0.82 HIF1A (0.47) ADRB1ADRB3

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-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ADRB1 1968/4885ADRB3 3223/4885KDM4E 4327/4885

“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.