SCHEMBL40587

SCHEMBL40587

CCOC(=O)c1cc(N)c([N+](=O)[O-])cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.46
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44
GABRG1 Q8N1C3 5/20 0.44
GABRG3 Q99928 5/20 0.44

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
SCHEMBL3112919 0.86 ALDH1A1 (0.48) MAPTNPC1ALDH1A1LMNAPOLB
SCHEMBL1336270 0.84 MAPK1 (0.45) MAPTALDH1A1LMNAPOLBGABRP
SCHEMBL19231419 0.81 GABRA1 (0.47) MAPTNPC1ALDH1A1LMNAPOLB
SCHEMBL41011 0.81 GABRA1 (0.51) MAPTNPC1ALDH1A1LMNAPOLB
SCHEMBL1338068 0.77 LMNA (0.47) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL23350063 0.77 GABRA1 (0.48) MAPTNPC1ALDH1A1LMNAPOLB
SCHEMBL30100094 0.77 GABRA1 (0.48) MAPTNPC1ALDH1A1LMNAPOLB
SCHEMBL4799762 0.76 ALDH1A1 (0.41) MAPTNPC1ALDH1A1LMNAPOLB
SCHEMBL3110544 0.76 GABRA1 (0.50) MAPTNPC1ALDH1A1LMNAPOLB
Water SCHEMBL3559493 0.76 LMNA (0.46) MAPTALDH1A1LMNAPOLBKMT2A

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
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
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
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 1572/4885NPC1 3274/4885ALDH1A1 1427/4885
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MAPT 3453/4885NPC1 3129/4885ALDH1A1 2932/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MAPT 3371/4885NPC1 3266/4885ALDH1A1 2935/4885
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS PDE3B, PDE3A, PDE5A MAPT 1572/4885NPC1 3274/4885ALDH1A1 1427/4885

“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.