SCHEMBL401727

SCHEMBL401727

Cc1[nH]c(C(=O)O)c(Br)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 2/20 0.37
GPR35 Q9HC97 2/20 0.35
UPP1 Q16831 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.31
GRIA4 P48058 1/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
UBE2N P61088 1/20 0.30
PIN1 Q13526 1/20 0.30

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
SCHEMBL399174 0.85 ATM (0.49) ATMALDH1A1KDM4EHPGDGPR35
SCHEMBL3033303 0.81 ALDH1A1 (0.40) ATMALDH1A1KDM4EHPGDGPR35
SCHEMBL402460 0.78 CYP1A2 (0.51) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL3399851 0.78 KDM4E (0.44) ATMALDH1A1KDM4EHPGDUPP1
SCHEMBL510531 0.74 KDM4E (0.49) ATMALDH1A1KDM4EHPGDUPP1
SCHEMBL4919077 0.73 ATM (0.55) ATMALDH1A1KDM4EHPGDUPP1
SCHEMBL5223628 0.73 CYP1A2 (0.48) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13330260 0.71 GPR35 (0.40) ALDH1A1KDM4EHPGDGPR35
SCHEMBL399721 0.71 HCAR2 (0.38) ALDH1A1GPR35
SCHEMBL3282041 0.70 LMNA (0.43) ATMALDH1A1KDM4EHPGDKMT2A

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 ATM 3174/4885ALDH1A1 57/4885KDM4E 2981/4885

“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.