SCHEMBL503056

SCHEMBL503056

CC(C)(C)N(Cc1cc(Oc2cncc(Br)c2)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL502767 0.85 SIRT2 (0.33) XDHSIRT2SIRT1SIRT3
SCHEMBL14674130 0.82 ALDH1A1 (0.43) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL14674353 0.81 AR (0.43)
SCHEMBL14674597 0.81 LMNA (0.41) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL502982 0.81 MERTK (0.36) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL14673681 0.80 HTR2A (0.39) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL14674209 0.80 MAPT (0.41) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL14674339 0.80 AR (0.38) MAPTTDP1POLBMEN1KMT2A
SCHEMBL502637 0.79 MAPT (0.41) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL502639 0.79 MAPT (0.41) MAPTGAAHPGDSMN1; SMN2LMNA

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 MAPT 4072/4885GAA 552/4885HPGD 967/4885

“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.