SCHEMBL404561

SCHEMBL404561

CCOC(=O)c1sc(N)nc1-c1ncnn1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP1A2 P05177 1/20 0.53
HPGD P15428 3/20 0.50
FBP1 P09467 1/20 0.50
LMNA P02545 1/20 0.41
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 4/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL509688 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL401694 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL404165 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL404580 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL13330097 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2HPGDLMNA
SCHEMBL403810 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL404952 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL3406570 0.77 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL1505583 0.76 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDFBP1
SCHEMBL403488 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDFBP1

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 5 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
EP-2379545-A1 2- (PIPERIDIN-1-YL) -4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-26 EP 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 3230/4885CYP1A2 194/4885

“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.