SCHEMBL13769055

SCHEMBL13769055

COC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)N=[N+]=[N-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ LMNA P02545 3/20 0.46
▸ ALOX5 P09917 3/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14337625 0.86 MEN1 (0.41) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL20536246 0.81 SMN1; SMN2 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A
SCHEMBL20536245 0.81 SMN1; SMN2 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A
SCHEMBL29015520 0.81 SMN1; SMN2 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A
SCHEMBL24189544 0.81 SMN1; SMN2 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A
SCHEMBL23709920 0.81 NPC1 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A
SCHEMBL20535655 0.81 HDAC8 (0.40) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL20535659 0.81 HDAC8 (0.40) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30396850 0.81 SMN1; SMN2 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A
SCHEMBL29015479 0.81 SMN1; SMN2 (0.37) ATMLMNASMN1; SMN2NPC1RAB9A

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-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 — — US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 — — US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 — — US disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 — — 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 (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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 ATM 821/4885LMNA 3926/4885ALOX5 2421/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 ATM 712/4885LMNA 4171/4885ALOX5 3113/4885

“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.

Send feedback