SCHEMBL3528017

SCHEMBL3528017

NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCCCNC(=O)c1ccc(C(=O)NCCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 12/20 0.43
ALDH1A1 P00352 9/20 0.43
GLA P06280 7/20 0.43
HSD17B10 Q99714 7/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 7/20 0.43
CYP1A2 P05177 5/20 0.43
GAA P10253 4/20 0.43
LMNA P02545 4/20 0.43
CYP2D6 P10635 4/20 0.43
PLAU P00749 2/20 0.43
TSHR P16473 2/20 0.43
FTO Q9C0B1 2/20 0.43
BLM P54132 2/20 0.43
SLC22A1 O15245 1/20 0.43
HTR1A P08908 1/20 0.43
SLC9A1 P19634 1/20 0.43
MAOA P21397 1/20 0.43
ADORA2A P29274 1/20 0.43
CYP2C19 P33261 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
SCHEMBL13165427 0.88 SCNN1A (0.52) SCNN1AALDH1A1GLAHSD17B10KDM4E
Bromide SCHEMBL3528020 0.87 SCNN1A (0.51) SCNN1AALDH1A1GLAHSD17B10KDM4E
SCHEMBL13165413 0.82 SCNN1A (0.52) SCNN1AALDH1A1GLAHSD17B10KDM4E
Bromide SCHEMBL4693426 0.80 PLAU (0.61) SCNN1AALDH1A1GLAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL4693836 0.79 KDM4E (0.62) SCNN1AALDH1A1GLAHSD17B10KDM4E
Bromide SCHEMBL4789645 0.79 PLAU (0.60) SCNN1AALDH1A1GLAHSD17B10KDM4E
SCHEMBL5014171 0.79 SCNN1A (0.52) SCNN1AALDH1A1GLAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL938745 0.79 SCNN1A (0.52) SCNN1A
SCHEMBL13165429 0.78 PLAU (0.58) SCNN1AALDH1A1GLAHSD17B10KDM4E
SCHEMBL3528728 0.78 PLAU (0.58) SCNN1AALDH1A1GLAHSD17B10KDM4E

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-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1968969-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007071396-A2 PYRAZINOYLGUANIDINE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2007-06-28 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 (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 567/4885GLA 1638/4885

“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.