SCHEMBL6426277

SCHEMBL6426277

O=C1N=C(NC2CC3C=CC2C3)SC1CC(=O)N1CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.42
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NOTUM Q6P988 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL6507788 0.95 ALDH1A1 (0.39) ALDH1A1MAPTTSHRLMNAKMT2A
SCHEMBL6427323 0.86 DPP4 (0.40) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL6427696 0.85 DPP8 (0.34) ALDH1A1TSHRGAA
SCHEMBL6429047 0.82 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1LMNACYP3A4
SCHEMBL6426948 0.81 L3MBTL1 (0.37) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL6387641 0.81 XIAP (0.36) CYP3A4KMT2AMEN1
SCHEMBL6426935 0.81 SMN1; SMN2 (0.51) ALDH1A1MAPTTSHRL3MBTL1LMNA
SCHEMBL6504880 0.80 TSHR (0.42) ALDH1A1TSHRL3MBTL1KMT2AMEN1
SCHEMBL14344793 0.80 TSHR (0.42) ALDH1A1TSHRL3MBTL1KMT2AMEN1
SCHEMBL6427585 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2AMEN1GAA

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
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
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 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 ALDH1A1 67/4885MAPT 3607/4885TSHR 2078/4885

“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.