SCHEMBL719689

SCHEMBL719689

COc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(F)cc12.O=C(c1oc2ccc(F)cc2c1O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TEAD4 Q15561 1/20 0.34
PIK3CB P42338 1/20 0.32
MAPT P10636 2/20 0.31
NAMPT P43490 1/20 0.31
TP53 P04637 2/20 0.31
RCE1 Q9Y256 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL718554 0.92 NPC1 (0.36) NPC1RAB9ATEAD4PIK3CBNAMPT
SCHEMBL718999 0.84 NPC1 (0.36) NPC1RAB9ATEAD4PIK3CBNAMPT
SCHEMBL721576 0.82 NAMPT (0.37) NPC1RAB9ATEAD4PIK3CBNAMPT
SCHEMBL719224 0.82 NPC1 (0.44) NPC1RAB9ATEAD4PIK3CBMAPT
SCHEMBL718724 0.81 NPC1 (0.42) NPC1RAB9ATEAD4PIK3CBMAPT
SCHEMBL3402059 0.80 NAMPT (0.38) NPC1RAB9ATEAD4PIK3CBNAMPT
SCHEMBL720138 0.78 NPC1 (0.34) NPC1RAB9ATEAD4PIK3CBNAMPT
SCHEMBL3403389 0.78 NPC1 (0.36) NPC1RAB9ATEAD4PIK3CBNAMPT
SCHEMBL719915 0.77 NPC1 (0.45) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL716825 0.76 NPC1 (0.41) NPC1RAB9ATEAD4PIK3CBMAPT

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 2454/4885TEAD4 253/4885

“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.