SCHEMBL501648

SCHEMBL501648

CC(C)(C)N(Cc1cc(Oc2ccc(Cl)nc2)ccc1N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
CDK8 P49336 5/20 0.34
SCN9A Q15858 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
MAP4K4 O95819 1/20 0.32

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
SCHEMBL502982 0.85 MERTK (0.36) MEN1KMT2AALDH1A1
SCHEMBL14674617 0.82 SLC6A4 (0.43) CDK8
SCHEMBL14674314 0.81 LPAR1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL14674006 0.81 RNF4 (0.40) ALDH1A1
SCHEMBL14674398 0.81 HTR2A (0.40)
SCHEMBL14674224 0.81 SOS1 (0.45) CDK8NPC1
SCHEMBL14675128 0.80 LMNA (0.44) MEN1KMT2ANPC1RAB9A
SCHEMBL14674494 0.80 PPARA (0.41) SCN9A
SCHEMBL14673976 0.79 SLC6A4 (0.42) SCN9AMEN1KMT2A
SCHEMBL14673937 0.79 VEGFA (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 EP 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-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA KCNQ3 1906/4885KCNQ2 2021/4885KCNE1 1726/4885

“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.