SCHEMBL723029

SCHEMBL723029

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(F)cc3c2COCCOC)C2CCCCC2)cc1.COCCOCc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CB P42338 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
IDH1 O75874 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL718239 0.98 NAMPT (0.36) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL3402059 0.95 NAMPT (0.38) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL720138 0.94 NPC1 (0.34) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL719320 0.92 NPC1 (0.35) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL10284984 0.90 NAMPT (0.38) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL721576 0.89 NAMPT (0.37) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL718723 0.87 MEN1 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL716825 0.86 NPC1 (0.41) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL718999 0.86 NPC1 (0.36) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL718275 0.86 RAB9A (0.40) NAMPTNPC1RAB9AMEN1KMT2A

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NAMPT 69/4885NPC1 902/4885RAB9A 2454/4885

“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.