SCHEMBL1513445

SCHEMBL1513445

CCOC(=O)c1cccc(-c2ccc3c(n2)C(=O)CC3)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
ATM Q13315 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GALR1 P47211 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1513411 0.80 BRD4 (0.48) GALR1TP53POLBHPGDMAPT
SCHEMBL1513235 0.78 NPC1 (0.47) NPC1RAB9ACASP3ATMSENP8
SCHEMBL1513221 0.77 NPC1 (0.46) NPC1RAB9ACASP3ATMSENP8
SCHEMBL29617015 0.75 TP53 (0.62) NPC1RAB9AGALR1TP53POLB
SCHEMBL14759026 0.74 CYP1A2 (0.53) NPC1RAB9ACASP3ATMSENP8
SCHEMBL4901644 0.74 TP53 (0.50) NPC1RAB9AGALR1TP53POLB
SCHEMBL4193217 0.73 TP53 (0.61) GALR1TP53POLBHPGD
SCHEMBL1513323 0.73 GALR1 (0.48) NPC1RAB9ACASP3ATMSENP8
SCHEMBL1279251 0.72 TP53 (0.46) NPC1RAB9ATP53POLBHPGD
SCHEMBL1513281 0.72 CDK8 (0.50) NPC1RAB9ATP53POLBHPGD

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-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
EP-2298731-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-23 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-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 NPC1 2004/4885RAB9A 3900/4885CASP3 3888/4885

“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.