SCHEMBL6428776

SCHEMBL6428776

O=C1N=C(NC2CC2)SC1CC(=O)N1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
POLB P06746 2/20 0.44
DPP4 P27487 3/20 0.44
DPP8 Q6V1X1 3/20 0.44
KDM4E B2RXH2 5/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6393517 0.96 ALDH1A1 (0.55) ALDH1A1MAPTTDP1HDAC3HDAC1
SCHEMBL6427188 0.95 ALDH1A1 (0.57) ALDH1A1MAPTTDP1HDAC3HDAC1
SCHEMBL6426510 0.95 ALDH1A1 (0.57) ALDH1A1MAPTTDP1HDAC3HDAC1
SCHEMBL6507694 0.87 ALDH1A1 (0.46) ALDH1A1MAPTTDP1POLBDPP4
SCHEMBL6427907 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTDP1POLBDPP4
SCHEMBL6508183 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTDP1POLBDPP4
SCHEMBL6499328 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTDP1POLBDPP4
SCHEMBL6427323 0.83 DPP4 (0.40) ALDH1A1MAPTTDP1HDAC3HDAC1
SCHEMBL6504722 0.82 TAAR1 (0.46) ALDH1A1MAPTTDP1DPP4DPP8
SCHEMBL6426935 0.80 SMN1; SMN2 (0.51) ALDH1A1MAPTMEN1KMT2ANPSR1

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 3607/4885TDP1 804/4885

“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.