SCHEMBL212552

SCHEMBL212552

NC(c1ccc(C(=O)O)cc1)c1ccc2ncsc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.66
RAB9A P51151 13/20 0.66
KDM4E B2RXH2 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
HKDC1 Q2TB90 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
FFAR1 O14842 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KLK7 P49862 1/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NAMPT P43490 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
SCHEMBL192332 0.80 NPC1 (1.00) NPC1RAB9AKDM4ETDP1HKDC1
Hydrochloric Acid SCHEMBL4255724 0.79 NPC1 (0.96) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL10347638 0.79 NPC1 (0.96) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL210665 0.78 NPC1 (0.59) NPC1RAB9AGFERMEN1KMT2A
SCHEMBL28086791 0.77 NPC1 (0.41) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL212965 0.77 OGA (0.47) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL2593577 0.74 ANPEP (0.61) SMN1; SMN2ALDH1A1
SCHEMBL15494716 0.74 NPC1 (0.47) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL418266 0.74 NPC1 (0.55) NPC1RAB9AKDM4ETDP1HKDC1
Trifluoroacetic Acid SCHEMBL5025946 0.72 NPC1 (0.82) NPC1RAB9AKDM4ETDP1HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 NPC1 1293/4885RAB9A 3036/4885KDM4E 258/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 NPC1 1178/4885RAB9A 3239/4885KDM4E 337/4885

“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.