SCHEMBL716541

SCHEMBL716541

Cc1c(C(=O)C2CCCCC2)oc2ccc(OCC3CCCO3)cc12.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCC3CCCO3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.42
NPC1 O15118 9/20 0.42
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL720067 0.94 TDP1 (0.43) RAB9ANPC1TDP1SMN1; SMN2LMNA
SCHEMBL717983 0.88 NPC1 (0.39) RAB9ANPC1TDP1SMN1; SMN2LMNA
SCHEMBL719158 0.87 NPC1 (0.38) RAB9ANPC1TDP1SMN1; SMN2LMNA
SCHEMBL719915 0.83 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL718240 0.82 NPC1 (0.40) RAB9ANPC1TDP1LMNAMAPT
SCHEMBL720498 0.82 CASP3 (0.40) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL718650 0.82 NPC1 (0.35) RAB9ANPC1TDP1KDM4EALDH1A1
SCHEMBL717554 0.81 NPC1 (0.34) RAB9ANPC1TDP1KDM4EALDH1A1
SCHEMBL10249389 0.81 NPC1 (0.38) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL720892 0.81 F11 (0.33) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 RAB9A 2454/4885NPC1 902/4885TDP1 4750/4885

“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.