SCHEMBL1961946

SCHEMBL1961946

O=C(CC1CCCC1)c1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.42
CYP2C19 P33261 2/20 0.42
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CYP3A4 P08684 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
RECQL P46063 2/20 0.38
ENPP1 P22413 1/20 0.37
PDE4B Q07343 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1963039 0.91 LMNA (0.43) ALDH1A1LMNAMAPTPTGDR2CYP2C19
SCHEMBL1962539 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGDR2CYP2C19
SCHEMBL1959418 0.85 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGDR2CYP2C19
SCHEMBL1959282 0.85 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPTGDR2PDE4B
SCHEMBL1962993 0.85 PDE5A (0.38) ALDH1A1LMNAMAPTPTGDR2CYP2C19
SCHEMBL1962044 0.83 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGDR2CYP2C19
SCHEMBL1958748 0.82 FKBP1A (0.38) LMNAMAPTNPC1RAB9A
SCHEMBL1962404 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGDR2CNR1
SCHEMBL1959911 0.82 ACHE (0.36) ALDH1A1LMNAMAPTCNR1CNR2
SCHEMBL1960226 0.81 FKBP1A (0.38) ALDH1A1LMNAMAPTKDM4ERAB9A

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 ALDH1A1 769/4885LMNA 4695/4885MAPT 4347/4885

“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.