SCHEMBL5428679

SCHEMBL5428679

Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 2/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
MAPK1 P28482 1/20 0.57
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
GCK P35557 10/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48

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
SCHEMBL5235844 0.90 HCAR3 (0.68) HCAR3NPC1RAB9ATP53ALOX15
SCHEMBL2650769 0.89 RAB9A (0.55) NPC1RAB9ATP53ALOX15HTT
SCHEMBL14426489 0.82 KCNK3 (0.70) NPC1RAB9ATP53KCNK3KCNK9
SCHEMBL5234128 0.80 HCAR3 (0.57) HCAR3NPC1RAB9ATP53ALOX15
SCHEMBL5231102 0.80 HCAR3 (0.61) HCAR3NPC1RAB9ATP53ALOX15
SCHEMBL13381550 0.79 HPGD (0.70) NPC1RAB9ATP53KCNK3KCNK9
SCHEMBL5232050 0.79 RAB9A (0.71) HCAR3NPC1RAB9ATP53ALOX15
SCHEMBL8827562 0.78 RAB9A (0.65) HCAR3NPC1RAB9ATP53ALOX15
SCHEMBL26405873 0.77 RAB9A (0.60) NPC1RAB9ATP53ALOX15HTT
SCHEMBL5233565 0.77 HCAR3 (0.56) HCAR3NPC1RAB9ATP53ALOX15

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-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB (SE) 2004-10-28 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 (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-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK HCAR3 728/4885NPC1 1608/4885RAB9A 3111/4885
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK HCAR3 862/4885NPC1 1167/4885RAB9A 2668/4885

“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.