SCHEMBL12249709

SCHEMBL12249709

Cc1ccc(Sc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.60
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 6/20 0.54
KDM4E B2RXH2 5/20 0.54
HTT P42858 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4A O75164 2/20 0.54
KDM4B O94953 2/20 0.54
KDM5B Q9UGL1 2/20 0.54
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.53
SCD O00767 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TYR P14679 1/20 0.53
KDM5C P41229 1/20 0.53
RRM1 P23921 1/20 0.53

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
SCHEMBL15133440 0.93 ADORA3 (0.55) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL12248439 0.90 MAPT (0.56) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL12249714 0.89 GCK (0.52) ADORA3LMNAKDM4EHTTALDH1A1
SCHEMBL12249704 0.88 LMNA (0.63) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL12249136 0.88 PARP1 (0.64) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL12249703 0.85 GCK (0.61) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL12249717 0.85 ADORA3 (0.58) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL12248432 0.83 ADORA3 (0.49) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL15133451 0.83 LMNA (0.53) ADORA3NPC1RAB9ALMNAKDM4E
SCHEMBL16523128 0.83 ADORA3 (0.49) ADORA3NPC1RAB9ALMNAKDM4E

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-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2015-02-26 US disclosed
US-8946268-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS, INC. (TW) 2015-02-03 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 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 (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-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 ADORA3 4723/4885NPC1 1402/4885RAB9A 3097/4885
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 ADORA3 4723/4885NPC1 1402/4885RAB9A 3097/4885

“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.