SCHEMBL1962273

SCHEMBL1962273

O=C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
AGTR1 P30556 1/20 0.50
KMT2A Q03164 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
KMO O15229 3/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD11B1 P28845 1/20 0.44

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
SCHEMBL13308382 0.93 KMO (0.50) ALDH1A1LMNAAGTR1KMOTSHR
SCHEMBL11859556 0.83 ALDH1A1 (0.57) ALDH1A1LMNAAGTR1HPGDSLC6A4
SCHEMBL14410834 0.80 HTR3E (0.46) ALDH1A1LMNAAGTR1KMOTSHR
SCHEMBL5442983 0.80 HTR3E (0.46) ALDH1A1LMNAAGTR1KMOTSHR
SCHEMBL5442986 0.80 HTR3E (0.46) ALDH1A1LMNAAGTR1KMOTSHR
SCHEMBL29171625 0.79 NPC1 (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL11830987 0.79 NPC1 (0.48) ALDH1A1LMNAAGTR1KMT2ATAS1R3
SCHEMBL23782355 0.77 KMO (0.47) ALDH1A1LMNAAGTR1KMOTSHR
SCHEMBL30173738 0.77 KMO (0.47) ALDH1A1LMNAAGTR1KMOTSHR
SCHEMBL27760711 0.76 KCNH2 (0.62) KMT2ATAS1R3TAS1R2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 PDE4A 625/4885PDE4B 502/4885PDE4C 812/4885

“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.