SCHEMBL10136028

SCHEMBL10136028

Cc1ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
HCAR3 P49019 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6702693 0.88 CYP3A4 (0.34) TSHRCYP3A4KDM4EGAAL3MBTL1
SCHEMBL3487495 0.88 ALDH1A1 (0.41) TSHRCYP3A4KDM4EGAAL3MBTL1
SCHEMBL3247412 0.85 MAPK1 (0.43) TSHRL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL29705142 0.85 ATM (0.43) L3MBTL1MAPTALDH1A1KMT2AHCAR3
SCHEMBL27475420 0.85 TSHR (0.43) TSHRCYP3A4L3MBTL1MAPTALDH1A1
SCHEMBL20521236 0.85 ATM (0.43) L3MBTL1MAPTALDH1A1KMT2AHCAR3
SCHEMBL3487106 0.85 HSD17B1 (0.44) KDM4EL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL15071643 0.84 PDE7A (0.37) GAAMAPTALDH1A1KMT2AHCAR3
SCHEMBL1131379 0.84 MEN1 (0.44) KDM4EMAPTALDH1A1KMT2APOLB
SCHEMBL27804060 0.84 L3MBTL1 (0.39) TSHRCYP3A4KDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 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-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA TSHR 195/4885CYP3A4 247/4885KDM4E 2695/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA TSHR 195/4885CYP3A4 247/4885KDM4E 2695/4885

“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.