SCHEMBL2179536

SCHEMBL2179536

COCCCOc1cc(CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
NPC1 O15118 6/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 3/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
RECQL P46063 2/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL2179540 0.90 GCK (0.54) MAPTNPC1LMNAKDM4EPOLB
SCHEMBL2178641 0.90 KCNK3 (0.58) MAPTNPC1LMNAALDH1A1KCNK3
SCHEMBL2180616 0.89 KDM4E (0.51) MAPTNPC1LMNAKDM4EPOLB
SCHEMBL2178466 0.89 KCNK3 (0.48) MAPTNPC1LMNAPOLBTDP1
SCHEMBL2178241 0.87 RAB9A (0.49) MAPTNPC1LMNAALDH1A1KCNK3
SCHEMBL2179516 0.86 KCNK3 (0.50) MAPTNPC1LMNAALDH1A1KCNK3
SCHEMBL2176330 0.84 KCNK3 (0.48) MAPTNPC1LMNAALDH1A1KCNK3
SCHEMBL2178007 0.84 ADORA2A (0.54) MAPTNPC1LMNAALDH1A1KCNK3
SCHEMBL2179567 0.83 ADORA2A (0.55) MAPTNPC1LMNAKCNK3KCNK9
SCHEMBL2177651 0.83 NPC1 (0.47) MAPTNPC1LMNAALDH1A1KCNK3

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
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 MAPT 3236/4885NPC1 3351/4885LMNA 4006/4885

“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.