SCHEMBL40980

SCHEMBL40980

COC(=O)c1cnc([N+](=O)[O-])c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MAPK1 P28482 4/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
OPRK1 P41145 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
VCAM1 P19320 1/20 0.43
KMT2A Q03164 2/20 0.42
PSMD14 O00487 1/20 0.42
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
PDGFRB P09619 1/20 0.39

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
SCHEMBL17275525 0.84 NPC1 (0.53) MAPTMAPK1POLBKDM4EALDH1A1
SCHEMBL15608667 0.83 MAPK1 (0.48) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL19583417 0.83 MAPK1 (0.48) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL16235242 0.82 KMT2A (0.48) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL5248286 0.82 MAPK1 (0.56) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL30882761 0.82 MAPK1 (0.47) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL23928018 0.81 MAPT (0.50) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL41460 0.81 LMNA (0.51) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL11377331 0.78 MAPK1 (0.59) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL31386800 0.78 KDM4E (0.49) MAPTMAPK1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138245-B2 Fused triazole derivatives as phosphodiesterase 10A inhibitors CELON PHARMA S.A. (PL) 2018-11-27 US disclosed
EP-3145930-B1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS Celon Pharma Sa (PL) 2018-07-04 EP disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 US disclosed
EP-3145930-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-03-29 EP disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
WO-2015177688-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2015-11-26 WO disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO 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 (4 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-10138245-B2 Fused triazole derivatives as phosphodiesterase 10A inhibitors PDE3B, PDE3A, PDE5A MAPT 1572/4885MAPK1 1647/4885POLB 1295/4885
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MAPT 3453/4885MAPK1 756/4885POLB 4219/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MAPT 3371/4885MAPK1 732/4885POLB 4344/4885
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS PDE3B, PDE3A, PDE5A MAPT 1572/4885MAPK1 1647/4885POLB 1295/4885

“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.