SCHEMBL13833752

SCHEMBL13833752

COCOc1ccccc1C(=O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.50
GLO1 Q04760 1/20 0.47
PKM P14618 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PAX8 Q06710 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
BAD Q92934 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL14788131 0.87 MAPT (0.54) ALDH1A1NPC1RAB9AGLO1PKM
SCHEMBL14021104 0.85 RAB9A (0.62) ALDH1A1NPC1RAB9AGLO1PKM
SCHEMBL14330483 0.78 ELANE (0.49) ALDH1A1ALOX15TSHRMAPTSMN1; SMN2
SCHEMBL30070812 0.78 ELANE (0.49) ALDH1A1ALOX15TSHRMAPTSMN1; SMN2
SCHEMBL6319718 0.78 ALDH1A1 (0.66) ALDH1A1NPC1RAB9APKML3MBTL1
SCHEMBL28480483 0.76 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AGLO1PKM
SCHEMBL13833772 0.74 HSD17B1 (0.58) ALDH1A1NPC1RAB9APKML3MBTL1
SCHEMBL14020195 0.74 NPC1 (0.55) ALDH1A1NPC1RAB9APKML3MBTL1
SCHEMBL24186529 0.73 MIF (0.48) ALDH1A1NPC1RAB9AGLO1PKM
SCHEMBL30287123 0.73 MIF (0.48) ALDH1A1NPC1RAB9AGLO1PKM

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 3 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
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 ALDH1A1 2924/4885NPC1 809/4885RAB9A 858/4885

“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.