SCHEMBL3345371

SCHEMBL3345371

Cc1c([N+](=O)[O-])cc(O)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.47
SNCA P37840 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TTR P02766 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL25355489 0.82 SNCA (0.48) GPR35SNCACYP1A2ALOX15ALOX12
SCHEMBL18175845 0.80 CYP1A2 (0.55) GPR35CYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL31065888 0.80 CYP1A2 (0.46) GPR35CYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL31065893 0.80 CYP1A2 (0.46) GPR35CYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL5321161 0.77 TSHR (0.52) GPR35ALOX15ALOX12ALDH1A1TDP1
SCHEMBL25863240 0.77 GPR35 (0.47) GPR35SNCACYP1A2ALOX15ALOX12
SCHEMBL31751222 0.77 TPMT (0.54) GPR35SNCACYP1A2ALOX15ALOX12
SCHEMBL31317099 0.77 MEN1 (0.43) GPR35SNCACYP1A2ALOX15ALOX12
SCHEMBL5408193 0.77 GPR35 (0.50) GPR35CYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL31317376 0.77 TSHR (0.51) GPR35CYP1A2ALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264702-B Dihydropyridinone amides as P2X7 modulators HOFFMANN LA ROCHE 2015-03-25 CN disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 GPR35 147/4885SNCA 2265/4885CYP1A2 1339/4885

“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.