SCHEMBL16787407

SCHEMBL16787407

Cc1cccc(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
MAPT P10636 3/20 0.55
ATM Q13315 1/20 0.55
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CNR1 P21554 1/20 0.52
NQO2 P16083 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL16155837 0.92 MAPT (0.59) POLBMAPTATMHDAC3HDAC1
SCHEMBL69058 0.86 NQO2 (0.62) POLBNQO2CA2NAMPTIDO1
SCHEMBL9985225 0.86 NQO2 (0.52) POLBNQO2CA2NAMPTIDO1
SCHEMBL31505839 0.86 NQO2 (0.62) POLBNQO2CA2NAMPTIDO1
SCHEMBL8279661 0.85 POLB (0.53) POLBMAPTATMALDH1A1NAMPT
SCHEMBL18875032 0.85 ALDH1A1 (0.57) POLBMAPTHDAC3HDAC1HDAC2
SCHEMBL30057191 0.85 ALDH1A1 (0.57) POLBMAPTHDAC3HDAC1HDAC2
SCHEMBL22452352 0.85 POLB (0.53) POLBMAPTATMNQO2ALDH1A1
SCHEMBL14679447 0.85 POLB (0.53) POLBMAPTATMHDAC3HDAC1
SCHEMBL15805853 0.84 NQO2 (0.51) POLBMAPTATMNQO2CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R POLB 4587/4885MAPT 1375/4885ATM 4488/4885

“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.