SCHEMBL6429808

SCHEMBL6429808

O=C1N=C(NC2CCCCCCC2)SC1CC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 5/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HIF1A Q16665 1/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TTK P33981 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 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
SCHEMBL1605486 1.00 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ATSHRPKM
SCHEMBL6501368 0.90 TSHR (0.49) ALDH1A1TSHRKDM4ENPC1L3MBTL1
SCHEMBL6427136 0.90 TSHR (0.49) ALDH1A1TSHRKDM4ENPC1L3MBTL1
SCHEMBL6425891 0.90 TSHR (0.49) ALDH1A1TSHRKDM4ENPC1L3MBTL1
SCHEMBL6429260 0.90 TSHR (0.49) ALDH1A1TSHRKDM4ENPC1L3MBTL1
SCHEMBL6502742 0.90 TSHR (0.49) ALDH1A1TSHRKDM4ENPC1L3MBTL1
SCHEMBL6427850 0.86 TSHR (0.40) ALDH1A1KMT2ATSHRKDM4ENPC1
SCHEMBL6429044 0.84 ALDH1A1 (0.39) ALDH1A1MAPTTSHRPKMKDM4E
SCHEMBL1605683 0.82 TSHR (0.38) KMT2ATSHR
SCHEMBL6430640 0.81 ALDH1A1 (0.40) ALDH1A1MAPTTSHRNPSR1KDM4E

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 67/4885MAPT 3607/4885KMT2A 3213/4885

“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.