SCHEMBL12388570

SCHEMBL12388570

COC(=O)c1ccc(F)c(NC(=N)c2cccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.51
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
DNMT1 P26358 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ITK Q08881 1/20 0.44
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
IL2 P60568 1/20 0.40

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
Hydrochloric Acid SCHEMBL1579990 0.99 MAPK14 (0.50) MAPK14KMT2AL3MBTL1DNMT1KDM4E
SCHEMBL1579974 0.85 KMT2A (0.53) KMT2AL3MBTL1DNMT1KDM4ERAB9A
Hydrochloric Acid SCHEMBL1579560 0.85 L3MBTL1 (0.53) KMT2AL3MBTL1KDM4ERAB9AMAPT
SCHEMBL12435554 0.83 MAPT (0.55) KMT2AL3MBTL1KDM4ETSHRRAB9A
Hydrochloric Acid SCHEMBL1580048 0.82 MAPT (0.54) KMT2AL3MBTL1KDM4ETSHRRAB9A
SCHEMBL28648134 0.74 ALDH1A1 (0.50) KMT2AKDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL15808132 0.74 KDM4E (0.46) KMT2AL3MBTL1KDM4ERAB9AMAPT
SCHEMBL28278861 0.73 KDM4E (0.51) KMT2AL3MBTL1KDM4ERAB9AMAPT
SCHEMBL1579925 0.72 KMT2A (0.68) KMT2AL3MBTL1KDM4ETSHRNPSR1
Hydrochloric Acid SCHEMBL1579944 0.72 LMNA (0.57) KMT2AL3MBTL1KDM4ERAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 US disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 US disclosed
WO-2010014794-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-02-04 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-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 MAPK14 681/4885KMT2A 2811/4885L3MBTL1 3290/4885

“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.