SCHEMBL2655835

SCHEMBL2655835

O=[N+]([O-])c1c(/C=N/O)cccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.67
MAPT P10636 6/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CCNB2 O95067 1/20 0.45

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
SCHEMBL2655836 1.00 RAB9A (0.67) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL23748560 0.84 CCNB2 (0.52) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL10960804 0.83 MEN1 (0.49) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL15013285 0.82 MAPT (0.55) MAPTNPC1MEN1KMT2AL3MBTL1
SCHEMBL28863987 0.80 RAB9A (0.77) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL30318898 0.78 HPD (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1121791 0.78 HPD (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10535540 0.78 CCNB2 (0.46) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL10535536 0.78 CCNB2 (0.46) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL2986814 0.77 HPD (0.57) MEN1KMT2AALDH1A1HPDPTGER1

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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK RAB9A 4253/4885MAPT 4750/4885NPC1 3545/4885

“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.