SCHEMBL3828314

SCHEMBL3828314

COc1ccc(N2C(=O)C(C)(c3ccc(Cl)cc3)C2c2ccc(Br)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.49
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPBWR1 P48145 2/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3828319 1.00 HSD11B1 (0.49) HSD11B1KCNH2MAPTTP53NPBWR1
SCHEMBL13567977 0.92 HSD11B1 (0.50) HSD11B1KCNH2MAPTNPBWR1MDM4
SCHEMBL3832015 0.84 HSD11B1 (0.67) HSD11B1KCNH2MDM4MDM2MEN1
SCHEMBL3832017 0.84 HSD11B1 (0.67) HSD11B1KCNH2MDM4MDM2MEN1
SCHEMBL3830052 0.79 HSD11B1 (0.50) HSD11B1KCNH2TP53NPBWR1MDM4
SCHEMBL3830055 0.79 HSD11B1 (0.50) HSD11B1KCNH2TP53NPBWR1MDM4
SCHEMBL3832297 0.75 NPC1 (0.38) MAPTTP53MDM2MEN1KMT2A
SCHEMBL3832424 0.75 ALDH1A1 (0.43) HSD11B1MAPTTP53NPBWR1MDM4
SCHEMBL4204809 0.75 ALDH1A1 (0.43) HSD11B1MAPTTP53NPBWR1MDM4
SCHEMBL3827580 0.70 HSD11B1 (0.55) HSD11B1KCNH2MAPTMDM4MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 HSD11B1 3978/4885KCNH2 4583/4885MAPT 3039/4885

“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.