SCHEMBL13833740

SCHEMBL13833740

Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ILK Q13418 11/20 0.47
APEX1 P27695 6/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13833636 0.80 APEX1 (0.68) APEX1NPC1RAB9AKMT2AKDM4E
SCHEMBL1494991 0.78 APEX1 (0.63) ILKAPEX1
SCHEMBL13833662 0.74 ILK (0.48) ILKAPEX1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL14777604 0.73 ILK (0.47) ILKAPEX1NPC1RAB9AKMT2A
SCHEMBL13832389 0.73 APEX1 (0.61) ILKAPEX1NPC1RAB9AKMT2A
SCHEMBL13832569 0.71 ILK (0.45) ILKAPEX1NPC1RAB9AKMT2A
SCHEMBL13832450 0.70 ILK (0.45) ILKAPEX1NPC1RAB9AKMT2A
SCHEMBL1393376 0.69 CDK1 (0.50) KMT2AKDM4EMEN1
SCHEMBL13833667 0.68 MEN1 (0.44) ILKAPEX1NPC1RAB9AKMT2A
SCHEMBL3752414 0.68 APEX1 (0.66) ILKAPEX1NPC1RAB9AKMT2A

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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP ILK 2762/4885APEX1 2669/4885NPC1 809/4885

“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.