SCHEMBL718505

SCHEMBL718505

Cc1ccc2oc(C(Nc3ccccc3C(=O)NCCC(=O)O)C3CCCCC3)c(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
F12 P00748 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3402110 0.92 CNR1 (0.39) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3401435 0.85 GCG (0.45) NPC1RAB9A
SCHEMBL718887 0.83 CNR2 (0.37) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3397384 0.80 NPC1 (0.42) NPC1RAB9AALDH1A1PTGS1PTGS2
SCHEMBL720544 0.78 GCG (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL720285 0.77 GCG (0.48)
SCHEMBL721199 0.77 NPC1 (0.48) NPC1RAB9A
SCHEMBL3401003 0.76 MAOB (0.43) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL721727 0.76 NPC1 (0.47) NPC1RAB9A
SCHEMBL721161 0.75 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 2454/4885MAPT 4533/4885

“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.