SCHEMBL15867804

SCHEMBL15867804

CC1(C)OB(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LIPG Q9Y5X9 4/20 0.41
CNR1 P21554 1/20 0.41
QDPR P09417 2/20 0.41
NAMPT P43490 7/20 0.41
MAPK1 P28482 1/20 0.41
LPL P06858 3/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
ROCK1 Q13464 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
SCHEMBL15867803 0.91 NAMPT (0.45) MEN1KMT2ALIPGCNR1QDPR
SCHEMBL18500637 0.84 NAMPT (0.40) MEN1KMT2ALIPGCNR1QDPR
SCHEMBL19297505 0.83 QDPR (0.42) LIPGQDPRNAMPTLPL
SCHEMBL12779997 0.81 NAMPT (0.53) NAMPT
SCHEMBL28954013 0.80 P2RX7 (0.43) MEN1KMT2AMAPK1CCNT1CDK9
SCHEMBL16922689 0.79 MEN1 (0.55) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL17897342 0.77 QDPR (0.54) LIPGQDPRLPL
SCHEMBL25221340 0.76 KDM4E (0.41) MEN1KMT2ALIPGNAMPTLPL
SCHEMBL14167571 0.75 AKR1C3 (0.52) KMT2AMAPK1ROCK1
SCHEMBL16920229 0.75 CNR1 (0.55) MEN1KMT2ACNR1QDPRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 US disclosed
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-07-10 US disclosed
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-07-10 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 (2 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-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 MEN1 2759/4885KMT2A 1137/4885LIPG 4187/4885
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 MEN1 2759/4885KMT2A 1137/4885LIPG 4187/4885

“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.