SCHEMBL223763

SCHEMBL223763

S=C(S)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 1/20 0.51
HPGD P15428 1/20 0.51
BCL6 P41182 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15510403 0.83 MAPT (0.74) MAPTPKMKDM4ELMNAALDH1A1
SCHEMBL525722 0.80 ALDH1A1 (0.57) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL29972743 0.80 ALDH1A1 (0.57) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL4629194 0.80 RAB9A (0.55) PKMNPC1RAB9AKDM4ELMNA
SCHEMBL1465824 0.80 ATG4B (0.56) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL13333219 0.80 RAB9A (0.55) MAPTPKMNPC1RAB9AKDM4E
SCHEMBL805874 0.80 LMNA (0.57) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL11186307 0.78 PKM (0.69) MAPTPKMNPC1RAB9AKDM4E
SCHEMBL23220314 0.77 MAPT (0.61) MAPTPKMKDM4EALDH1A1KMT2A
SCHEMBL17975563 0.77 ATG4B (0.53) ATG4BMAPTPKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389395-B1 RAFT POLYMERISATION COMMW SCIENT IND RES ORG (AU) 2017-03-29 EP disclosed
US-9340498-B2 Raft polymerisation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESERACH ORGANISATION (AU) 2016-05-17 US disclosed
US-20120004381-A1 RAFT POLYMERISATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-01-05 US disclosed
EP-2389395-A1 RAFT POLYMERISATION Commonwealth Scientific and Industrial Research Organisation (AU) 2011-11-30 EP disclosed
US-20110256644-A1 MASKS FOR MICROLITHOGRAPHY AND METHODS OF MAKING AND USING SUCH MASKS MICRON TECHNOLOGY, INC. (US) 2011-10-20 US disclosed
WO-2010083569-A1 RAFT POLYMERISATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-07-29 WO disclosed
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP disclosed
US-4990529-A Nervous system disorder MITSUI TOATSU CHEMICALS (JP) 1991-02-05 US disclosed
US-4839376-A Pyrazoline derivatives for treating cerebrovascular diseases MITSUI TOATSU CHEMICALS, INC. (JP) 1989-06-13 US disclosed
EP-0295695-A2 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-21 EP disclosed
US-4039550-A ANTHELMINTIC AGENTS STERLING DRUG INC. (US) 1977-08-02 US 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-20120004381-A1 RAFT POLYMERISATION OXGR1, FRG1, MSR1 ATG4B 4141/4885MAPT 4573/4885PKM 4237/4885

“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.