SCHEMBL3487172

SCHEMBL3487172

CN(C(=O)O)c1ccc(Oc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
POLB P06746 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 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
SCHEMBL3486822 0.91 SOS1 (0.42) HCAR3ALDH1A1MAPTLMNARAF1
SCHEMBL3487169 0.80 HTR2A (0.40) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL3487173 0.80 HTR2A (0.40) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL3489428 0.80 SOS1 (0.39) HCAR3ALDH1A1MAPTLMNAMEN1
SCHEMBL3488033 0.78 ICAM1 (0.40) RAF1PPARGPPARAHTR2ASLC6A4
SCHEMBL3487472 0.78 TSHR (0.38) HCAR3ALDH1A1MAPTLMNAHPGD
SCHEMBL6519620 0.77 HCAR3 (0.47) HCAR3ALDH1A1MAPTLMNAHPGD
SCHEMBL3487913 0.76 HSPB1 (0.47) HCAR3ALDH1A1MAPTLMNAMEN1
SCHEMBL3487466 0.76 HCAR3 (0.51) HCAR3ALDH1A1MAPTHPGDMAPK1
SCHEMBL3487462 0.76 HCAR3 (0.51) HCAR3ALDH1A1MAPTHPGDMAPK1

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
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP 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 (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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HCAR3 74/4885ALDH1A1 698/4885MAPT 4610/4885

“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.