SCHEMBL13166352

SCHEMBL13166352

Nc1nc(N)c(C(=O)N/C(=N/C(=O)OCc2ccccc2)NCCCCNc2ncnc(NCCCCN/C(=N\C(=O)OCc3ccccc3)NC(=O)c3nc(Cl)c(N)nc3N)n2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 13/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
FTO Q9C0B1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNH2 Q12809 2/20 0.46
GMNN O75496 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL13166350 0.87 SCNN1A (0.52) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13166347 0.82 SCNN1A (0.46) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL1136823 0.75 SCNN1A (0.48) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13166065 0.74 PLAU (0.49) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL1136994 0.73 SCNN1A (0.46) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL1136991 0.73 SCNN1A (0.46) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13166184 0.72 HTT (0.52) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL17806182 0.72 SCNN1A (0.58) SCNN1A
SCHEMBL16383650 0.72 SCNN1A (0.58) SCNN1A
SCHEMBL13398009 0.71 SCNN1A (0.43) SCNN1AALDH1A1KDM4EGLAHPGD

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 SCNN1A 13/4885ALDH1A1 567/4885KDM4E 4641/4885

“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.