SCHEMBL3524557

SCHEMBL3524557

N=C(NCCCCCN1CCN(CCCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)CC1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 16/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
GLA P06280 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
GAA P10253 3/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 2/20 0.41
PLAU P00749 2/20 0.41
CYP2D6 P10635 2/20 0.41
FTO Q9C0B1 2/20 0.41
BLM P54132 2/20 0.41
SLC22A1 O15245 1/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.41
SLC9A1 P19634 1/20 0.41
MAOA P21397 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3521532 0.91 SCNN1A (0.40) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL3524556 0.91 SCNN1A (0.43) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13165877 0.91 SCNN1A (0.43) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13165875 0.90 SCNN1A (0.43) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL14189641 0.89 SCNN1A (0.43) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13165873 0.88 SCNN1A (0.42) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL3524561 0.88 SCNN1A (0.59) SCNN1A
SCHEMBL14287046 0.88 SCNN1A (0.42) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13165868 0.88 SCNN1A (0.41) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL13165865 0.88 SCNN1A (0.41) 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 2 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-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.