SCHEMBL2216477

SCHEMBL2216477

COC(=O)C(=O)N(c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A4 P31645 1/20 0.34
IDO1 P14902 2/20 0.32
GPR174 Q9BXC1 2/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9847872 0.84 GPR174 (0.37) MAPTSLC6A4GPR174ALDH1A1LMNA
SCHEMBL2216243 0.76 SLC6A4 (0.44) MAPTTDP1SLC6A4ALDH1A1HPGD
SCHEMBL2218547 0.76 NPSR1 (0.47) MAPTTDP1ALDH1A1HPGDLMNA
SCHEMBL194902 0.68 TDP1 (0.50) MAPTTDP1ALDH1A1HPGDLMNA
SCHEMBL12933618 0.68 SLC6A4 (0.39) MAPTSLC6A4ALDH1A1HPGDLMNA
SCHEMBL9301104 0.67 ALDH1A1 (0.43) MAPTSLC6A4ALDH1A1HPGDMAPK1
SCHEMBL10530512 0.67 GPR174 (0.38) MAPTTDP1GPR174ALDH1A1HPGD
SCHEMBL11922583 0.66 TDP1 (0.50) MAPTTDP1ALDH1A1HPGDLMNA
SCHEMBL31208163 0.65 ALDH1A1 (0.68) MAPTTDP1SLC6A4ALDH1A1
SCHEMBL29686582 0.65 SLC6A4 (0.43) SLC6A4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 EP disclosed
US-8729091-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-8420647-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
WO-2011089099-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 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-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 MAPT 3655/4885TDP1 2420/4885SLC6A4 1382/4885
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 MAPT 3655/4885TDP1 2420/4885SLC6A4 1382/4885

“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.