SCHEMBL4872337

SCHEMBL4872337

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2NC(=O)CNCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL405558 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL4240378 0.83
SCHEMBL404261 0.81
SCHEMBL405329 0.81
SCHEMBL402315 0.80 NPC1 (0.46) SMN1; SMN2NPC1TP53RAB9A
SCHEMBL20299877 0.80 NPC1 (0.46) SMN1; SMN2NPC1TP53RAB9A
SCHEMBL13244514 0.80 RECQL (0.45)
SCHEMBL1105508 0.80 RECQL (0.45)
SCHEMBL404255 0.80 RECQL (0.45)
SCHEMBL403193 0.78 HDAC8 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885SMN1; SMN2 2296/4885NPC1 371/4885

“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.