SCHEMBL4288522

SCHEMBL4288522

O=C(Nc1ccn(CC(O)CO)n1)C(Cc1c(F)cccc1F)n1ncc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
GCK P35557 2/20 0.31
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4288515 1.00 STIM1 (0.33) STIM1ORAI1GCKEGFRSMN1; SMN2
SCHEMBL1062095 0.90 GCK (0.32) GCK
SCHEMBL1064095 0.90 GCK (0.32) GCK
SCHEMBL1062955 0.90 GCK (0.32) GCK
SCHEMBL4294550 0.90 GCK (0.40) STIM1ORAI1GCKEGFRSMN1; SMN2
SCHEMBL1062884 0.89 GCK (0.31) GCKALDH1A1MAPTHPGD
SCHEMBL1083096 0.87 GCK (0.41) GCK
SCHEMBL1063166 0.87 GCK (0.41) GCK
SCHEMBL4293609 0.87 GCK (0.41) GCK
SCHEMBL1063167 0.87 GCK (0.41) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK STIM1 4449/4885ORAI1 4800/4885GCK 1/4885

“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.