SCHEMBL352444

SCHEMBL352444

O=C(O)c1cc2ncsc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
HKDC1 Q2TB90 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
XDH P47989 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
DAO P14920 2/20 0.42
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PTGS2 P35354 2/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL8980270 0.93 NPC1 (0.53) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL4420731 0.87 NPC1 (0.58) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL29851968 0.81 NPC1 (0.51) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL28840648 0.81 NPC1 (0.51) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL8980162 0.80 KDM4E (0.47) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL6031739 0.78 NPC1 (0.46) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL30251624 0.77 NPC1 (0.56) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL8980221 0.77 NPC1 (0.56) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL5068263 0.77 KDM4E (0.47) NPC1RAB9AKDM4ETDP1HKDC1
SCHEMBL30438266 0.77 KDM4E (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG NPC1 2687/4885RAB9A 2089/4885KDM4E 1244/4885

“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.