SCHEMBL13166184

SCHEMBL13166184

Nc1nc(N)c(C(=O)/N=C(/NCCCC(=O)O)NC(=O)OCc2ccccc2)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
PLAU P00749 9/20 0.49
SCNN1A P37088 7/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
FTO Q9C0B1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GMNN O75496 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL13166065 0.91 PLAU (0.49) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL13166183 0.89 PLAU (0.47) HTTPLAUSCNN1AKDM4EALDH1A1
SCHEMBL13166182 0.79 PLAU (0.52) HTTPLAUSCNN1AKDM4EALDH1A1
SCHEMBL13640130 0.78 PLAU (0.47) HTTPLAUMAPTKCNH2
SCHEMBL7359305 0.78 HTT (0.69) HTTTDP1
SCHEMBL13166350 0.77 SCNN1A (0.52) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL14598314 0.74 HTT (0.64) HTT
SCHEMBL14628582 0.74 HTT (0.64) HTT
SCHEMBL7318682 0.74 HTT (0.64) HTT
SCHEMBL13166347 0.74 SCNN1A (0.46) PLAUSCNN1AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 HTT 3486/4885PLAU 2908/4885SCNN1A 13/4885

“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.