SCHEMBL403488

SCHEMBL403488

CCOC(=O)c1sc(N)nc1-c1nccn1CCOC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 1/20 0.52
FBP1 P09467 2/20 0.50
CYP1A2 P05177 1/20 0.47
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
CDC7 O00311 4/20 0.39
DBF4 Q9UBU7 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
XIAP P98170 1/20 0.39
KMT2A Q03164 1/20 0.39
PLEC Q15149 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL509029 0.91 FBP1 (0.42) ALDH1A1HSD17B10FBP1CYP1A2HPGD
SCHEMBL404952 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10FBP1CYP1A2HPGD
SCHEMBL404580 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10FBP1CYP1A2HPGD
SCHEMBL3401320 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10FBP1CYP1A2HPGD
SCHEMBL27843585 0.79 MEN1 (0.46) ALDH1A1CYP1A2RAB9ANPC1KDM4E
SCHEMBL27843584 0.79 ESR1 (0.31) ALDH1A1HSD17B10FBP1CYP1A2HPGD
SCHEMBL403438 0.78 HSP90AA1 (0.37) ALDH1A1HSD17B10CYP1A2RAB9AGAA
SCHEMBL30554013 0.76 CYP1A2 (0.42) ALDH1A1HSD17B10CYP1A2HPGDGAA
SCHEMBL404561 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10FBP1CYP1A2HPGD
SCHEMBL1554027 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10FBP1CYP1A2HPGD

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-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
WO-2010067125-A1 2- (PIPERIDIN-1-YL) -4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS PIR, TLR5, ALPI ALDH1A1 57/4885HSD17B10 3230/4885FBP1 2354/4885

“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.