SCHEMBL6809617

SCHEMBL6809617

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CS[C@@H]2C(=Cc3ccc4nc5n(c4c3)CCCS5)C(=O)N12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
CCR5 P51681 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL6810143 0.83
SCHEMBL3584307 0.81 ALDH1A1 (0.38)
SCHEMBL6208969 0.79
SCHEMBL11096576 0.77 POLB (0.38) NPC1KMT2ARAB9A
SCHEMBL11096168 0.77 POLB (0.38) NPC1KMT2ARAB9A
SCHEMBL11096159 0.77 POLB (0.38) NPC1KMT2ARAB9A
SCHEMBL11096178 0.77 POLB (0.38) NPC1KMT2ARAB9A
SCHEMBL6413204 0.77
SCHEMBL3595552 0.77
SCHEMBL10975137 0.75 HTT (0.39) NPC1KMT2ARAB9AENPP2

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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 NPC1 800/4885KMT2A 3127/4885RAB9A 1712/4885

“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.