SCHEMBL16053003

SCHEMBL16053003

COC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)c(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
ALOX5 P09917 6/20 0.45
PTGS2 P35354 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.40
UBE2N P61088 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL23219219 0.83 MEN1 (0.58) MEN1KMT2AALOX5PTGS2LMNA
SCHEMBL31748615 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL27958054 0.78 MEN1 (0.83) MEN1KMT2AALOX5PTGS2LMNA
SCHEMBL31748775 0.77 PDE4A (0.43) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL31748671 0.76 LMNA (0.41) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4390782 0.76 PDE4A (0.57) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL16053261 0.76 PRKAG1 (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL5427469 0.74 MEN1 (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL20141417 0.73 MEN1 (0.48) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL22748352 0.73 CA1 (0.47) MEN1KMT2AALOX5LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394285-B2 Indole and indazole compounds that activate AMPK PFIZER INC. (US) 2016-07-19 US disclosed
US-9394285-B2 Indole and indazole compounds that activate AMPK PFIZER INC. (US) 2016-07-19 US disclosed
US-9394285-B2 Indole and indazole compounds that activate AMPK PFIZER INC. (US) 2016-07-19 US disclosed
US-20160016940-A1 Indole and Indazole Compounds that Activate AMPK PFIZER, INC. (US) 2016-01-21 US disclosed
US-20160016940-A1 Indole and Indazole Compounds that Activate AMPK PFIZER, INC. (US) 2016-01-21 US disclosed
US-20160016940-A1 Indole and Indazole Compounds that Activate AMPK PFIZER, INC. (US) 2016-01-21 US disclosed
EP-2970177-A1 INDOLE COMPOUNDS THAT ACTIVATE AMPK Pfizer Inc. (US) 2016-01-20 EP disclosed
WO-2014140704-A1 INDOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2014-09-18 WO disclosed
WO-2014140704-A1 INDOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2014-09-18 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-20160016940-A1 Indole and Indazole Compounds that Activate AMPK PRKAG1, PRKAG3, PRKAG2 MEN1 4037/4885KMT2A 1740/4885PDE4A 229/4885

“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.