SCHEMBL2216243

SCHEMBL2216243

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
LMNA P02545 5/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 9/20 0.36
MAPT P10636 7/20 0.36
MAPK1 P28482 2/20 0.36
VCAM1 P19320 1/20 0.35
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34

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 0.81 GPR174 (0.37) SLC6A4LMNAHTTNPC1RAB9A
SCHEMBL2216477 0.76 MAPT (0.34) SLC6A4LMNARAB9ANOS3NOS1
SCHEMBL29686582 0.75 SLC6A4 (0.43) SLC6A4HTTALDH1A1VCAM1KDM4E
SCHEMBL26118511 0.75 SLC6A4 (0.43) SLC6A4HTTALDH1A1VCAM1KDM4E
SCHEMBL2217683 0.74 SLC6A4 (0.39) SLC6A4GAAKMT2A
SCHEMBL31208163 0.73 ALDH1A1 (0.68) SLC6A4HTTALDH1A1MAPTVCAM1
SCHEMBL6084022 0.72 VCAM1 (0.44) SLC6A4HTTALDH1A1MAPTMAPK1
SCHEMBL30110338 0.70 TSHR (0.50) SLC6A4ALDH1A1MAPTMAPK1VCAM1
SCHEMBL29739925 0.70 TDP1 (0.50) SLC6A4LMNAHTTALDH1A1MAPT
SCHEMBL3543539 0.70 TSHR (0.50) SLC6A4ALDH1A1MAPTMAPK1VCAM1

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 7 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
CN-102712620-A 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN LA ROCHE 2012-10-03 CN 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 SLC6A4 1382/4885LMNA 2130/4885HTT 3662/4885
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 SLC6A4 1382/4885LMNA 2130/4885HTT 3662/4885

“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.