SCHEMBL1930172

SCHEMBL1930172

COC(=O)c1nnn(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
PTGES O14684 3/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL14735948 0.98 PTGES (0.42) NPSR1PTGESTP53ALDH1A1HTT
SCHEMBL1930001 0.89 ALDH1A1 (0.48) NPSR1PTGESTP53ALDH1A1HTT
Lithium Ion SCHEMBL14735946 0.84 NPSR1 (0.42) NPSR1PTGESTP53ALDH1A1HTT
SCHEMBL9914070 0.82 NPC1 (0.57) PTGESHTTNPC1MEN1KMT2A
SCHEMBL14258066 0.79 NPC1 (0.44) PTGESHTTNPC1MEN1KMT2A
SCHEMBL903084 0.77 GAA (0.50) NPSR1PTGESTP53ALDH1A1HTT
SCHEMBL14736718 0.75 NPC1 (0.50) NPSR1PTGESTP53HTTNPC1
SCHEMBL14736241 0.75 TP53 (0.38) NPSR1PTGESTP53ALDH1A1HTT
SCHEMBL903085 0.73 NPSR1 (0.37) NPSR1PTGESALDH1A1HTTNPC1
SCHEMBL31712028 0.73 NPSR1 (0.42) NPSR1PTGESTP53ALDH1A1HTT

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
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US disclosed
EP-2258690-B1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2013-02-20 EP disclosed
EP-1539717-B1 MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-07-13 EP disclosed
US-7956194-B2 Microbiocidal (E.G. fungicidal) 1,2,3-triazole derivatives SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-2258690-A1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives Syngenta Participations AG (CH) 2010-12-08 EP disclosed
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-08-27 US disclosed
EP-1539717-A2 MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2005-06-15 EP disclosed
WO-2004018438-A2 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-03-04 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 (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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A NPSR1 321/4885PTGES 1552/4885TP53 4640/4885
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES CBR3, CCR4, CBR1 NPSR1 2206/4885PTGES 2847/4885TP53 3853/4885

“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.