SCHEMBL12249703

SCHEMBL12249703

Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.61
ADORA3 P0DMS8 4/20 0.58
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
KDM4A O75164 2/20 0.52
KDM4B O94953 2/20 0.52
KDM5B Q9UGL1 2/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
SCD O00767 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TYR P14679 1/20 0.51
KDM5C P41229 1/20 0.51

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
SCHEMBL12249710 0.93 GCK (0.56) GCKADORA3NPC1RAB9AALDH1A1
SCHEMBL12248436 0.91 GCK (0.54) GCKADORA3ALDH1A1KDM4ELMNA
SCHEMBL14992571 0.90 PARP1 (0.60) GCKADORA3ALDH1A1KDM4ELMNA
SCHEMBL12249715 0.89 GCK (0.61) GCKADORA3NPC1RAB9AALDH1A1
SCHEMBL12249080 0.88 PARP1 (0.61) GCKADORA3NPC1RAB9AALDH1A1
SCHEMBL15133446 0.88 GCK (0.52) GCKADORA3NPC1RAB9AALDH1A1
SCHEMBL15133441 0.88 GCK (0.53) GCKADORA3NPC1RAB9AKDM4A
SCHEMBL12249280 0.88 GCK (0.52) GCKADORA3NPC1RAB9AALDH1A1
SCHEMBL15133449 0.87 ADORA3 (0.53) GCKADORA3NPC1RAB9AALDH1A1
SCHEMBL15133445 0.87 ADORA3 (0.53) GCKADORA3NPC1RAB9AALDH1A1

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-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 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-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-07-25 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 (3 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-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 GCK 2453/4885ADORA3 4717/4885NPC1 1198/4885
US-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 GCK 2645/4885ADORA3 4723/4885NPC1 1402/4885
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 GCK 2645/4885ADORA3 4723/4885NPC1 1402/4885

“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.