SCHEMBL717074

SCHEMBL717074

Cc1c(C(O)C2CCCCC2)oc2ccc(OCC3CCCO3)cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.49
NPC1 O15118 11/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL718490 0.81 NPC1 (0.46) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL718063 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL718421 0.81 L3MBTL1 (0.50) RAB9ANPC1SMN1; SMN2LMNATDP1
SCHEMBL716565 0.80 NPC1 (0.40) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL717616 0.79 SIGMAR1 (0.40) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL719103 0.78 RAB9A (0.61) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL716333 0.77 NPC1 (0.41) RAB9ANPC1
SCHEMBL717053 0.77 NPC1 (0.45) RAB9ANPC1ALDH1A1
SCHEMBL720067 0.75 TDP1 (0.43) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL718925 0.73 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
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 (2 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 RAB9A 2454/4885NPC1 902/4885SMN1; SMN2 1051/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885NPC1 902/4885SMN1; SMN2 1051/4885

“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.