SCHEMBL6428381

SCHEMBL6428381

O=C1N=C(Nc2ccc(N3CCOCC3)cc2)SC1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
AKT1 P31749 5/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CB P42338 4/20 0.40
CYP3A4 P08684 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CG P48736 2/20 0.40
AVPR2 P30518 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6428309 0.88 GRM7 (0.46) ALDH1A1KDM4ETSHRMAPTCYP3A4
SCHEMBL6427179 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRUSP2LMNA
SCHEMBL6505625 0.80 MEN1 (0.43) ALDH1A1KDM4ETSHRCYP3A4L3MBTL1
SCHEMBL6506320 0.80 L3MBTL1 (0.47) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL6427597 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL6508360 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL6427674 0.78 MAPT (0.44) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL6506436 0.78 TSHR (0.53) ALDH1A1KDM4ETSHRMAPTKMT2A
SCHEMBL6502545 0.78 TSHR (0.53) ALDH1A1KDM4ETSHRMAPTKMT2A
SCHEMBL6500660 0.78 TSHR (0.53) ALDH1A1KDM4ETSHRMAPTKMT2A

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 ALDH1A1 67/4885KDM4E 2824/4885TSHR 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.