SCHEMBL6428317

SCHEMBL6428317

CN(C(=O)CC1SC(NC2CC2)=NC1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLQ O75417 2/20 0.36
FASN P49327 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6425910 0.95 PKM (0.46) PKMALDH1A1POLQMAPTKMT2A
SCHEMBL6426356 0.94 PKM (0.48) PKMALDH1A1POLQMAPTKMT2A
SCHEMBL6428237 0.94 PKM (0.48) PKMALDH1A1POLQMAPTKMT2A
SCHEMBL6427221 0.85 MAPT (0.38) ALDH1A1POLQMAPTKMT2AMEN1
SCHEMBL6426785 0.84 MAPT (0.38) ALDH1A1POLQMAPTKMT2AMEN1
SCHEMBL6427395 0.83 KMT2A (0.40) ALDH1A1POLQMAPTKMT2AMEN1
SCHEMBL6428045 0.83 PKM (0.40) PKMALDH1A1POLQMAPTKMT2A
SCHEMBL6427997 0.83 PKM (0.40) PKMALDH1A1MAPTKMT2AMEN1
SCHEMBL6500646 0.82 MAPT (0.41) ALDH1A1MAPTHPGDTSHR
SCHEMBL6427858 0.82 ALDH1A1 (0.36) PKMALDH1A1POLQMAPTKMT2A

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 PKM 1152/4885ALDH1A1 67/4885POLQ 875/4885

“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.