SCHEMBL404166

SCHEMBL404166

CCOC(=O)c1sc(Cl)nc1-c1nccn1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CDC7 O00311 10/20 0.42
DBF4 Q9UBU7 10/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
DHODH Q02127 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1552538 0.87 LMNA (0.36) NPC1RAB9AALDH1A1HSD17B10HPGD
SCHEMBL404952 0.85 ALDH1A1 (0.58) NPC1RAB9ACDC7DBF4ALDH1A1
SCHEMBL404165 0.80 ALDH1A1 (0.41) CDC7DBF4ALDH1A1HSD17B10MAPT
SCHEMBL1505433 0.79 LMNA (0.48) CDC7DBF4ALDH1A1HSD17B10MAPT
SCHEMBL401914 0.77 ALDH1A1 (0.40) CDC7DBF4ALDH1A1HSD17B10MAPT
SCHEMBL3400633 0.77 NOTUM (0.40) CDC7DBF4ALDH1A1HSD17B10MAPT
SCHEMBL510314 0.75 CDC7 (0.62) NPC1RAB9ACDC7DBF4ALDH1A1
SCHEMBL3403482 0.75 LMNA (0.62) NPC1RAB9ACDC7DBF4ALDH1A1
SCHEMBL404775 0.75 FBP1 (0.39) NPC1RAB9ACDC7DBF4ALDH1A1
SCHEMBL3406836 0.74 CDC7 (0.48) CDC7DBF4ALDH1A1HSD17B10MAPT

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 NPC1 1284/4885RAB9A 2126/4885CDC7 4200/4885

“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.