SCHEMBL720138

SCHEMBL720138

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(F)cc3c2COC)C2CCCCC2)cc1.COCc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NAMPT P43490 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIK3CB P42338 2/20 0.33
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
TEAD4 Q15561 1/20 0.31
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
SCHEMBL719320 0.98 NPC1 (0.35) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL721576 0.94 NAMPT (0.37) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL723029 0.94 NAMPT (0.35) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL718239 0.92 NAMPT (0.36) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL716825 0.89 NPC1 (0.41) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL10284568 0.89 NAMPT (0.37) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL718999 0.89 NPC1 (0.36) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL718275 0.89 RAB9A (0.40) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL3402059 0.88 NAMPT (0.38) NPC1RAB9ANAMPTMEN1KMT2A
SCHEMBL719224 0.85 NPC1 (0.44) NPC1RAB9ANAMPTMEN1KMT2A

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 NPC1 902/4885RAB9A 2454/4885NAMPT 69/4885

“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.