SCHEMBL3487466

SCHEMBL3487466

CN(C(=O)O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.51
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KIF18A Q8NI77 1/20 0.46
MAPT P10636 1/20 0.45
FSCN1 Q16658 1/20 0.45
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
VCAM1 P19320 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3487462 1.00 HCAR3 (0.51) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL3486789 0.88 TSHR (0.50) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL3486787 0.88 TSHR (0.50) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL6816481 0.82 ALDH1A1 (0.58) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL30610948 0.82 ALDH1A1 (0.58) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL17845547 0.81 ALDH1A1 (0.51) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17845544 0.81 ALDH1A1 (0.51) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17556135 0.81 KIF18A (0.46) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL17556134 0.81 KIF18A (0.46) HCAR3TSHRMAPK1ALDH1A1NPSR1
SCHEMBL11055761 0.79 MAPK1 (0.50) HCAR3TSHRMAPK1ALDH1A1NPSR1

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
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 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 (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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HCAR3 74/4885TSHR 276/4885MAPK1 1347/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HCAR3 74/4885TSHR 276/4885MAPK1 1347/4885

“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.