SCHEMBL406366

SCHEMBL406366

COCCn1ncnc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL403843 0.77 MEN1 (0.32) ALDH1A1HPGDMEN1KMT2A
SCHEMBL6330210 0.72 MPO (0.34) HCAR3CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL404126 0.70 — —
SCHEMBL510666 0.70 CYP1A2 (0.43) CNR1CNR2SMN1; SMN2NR3C1CYP2C9
SCHEMBL23990544 0.70 PKM (0.33) ALDH1A1HPGDKDM4EGAATP53
SCHEMBL23989808 0.70 TP53 (0.30) TP53
SCHEMBL27496090 0.69 MPO (0.34) HCAR3ALDH1A1SMN1; SMN2USP2HSD17B10
SCHEMBL23991047 0.69 TP53 (0.36) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL6340430 0.68 MAOB (0.33) ALDH1A1SMN1; SMN2TDP1MPOMAOA
SCHEMBL14825920 0.67 L3MBTL1 (0.46) HCAR3ALDH1A1SMN1; SMN2KDM4ETDP1

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 HCAR3 1424/4885CNR1 2285/4885CNR2 1410/4885

“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.

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