SCHEMBL5015586

SCHEMBL5015586

NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 12/20 0.55
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 6/20 0.47
GLA P06280 5/20 0.47
SCNN1A P37088 5/20 0.47
CYP1A2 P05177 4/20 0.47
LMNA P02545 3/20 0.47
CYP2D6 P10635 3/20 0.47
GAA P10253 3/20 0.47
FTO Q9C0B1 2/20 0.47
BLM P54132 2/20 0.47
SLC22A1 O15245 1/20 0.47
HTR1A P08908 1/20 0.47
TSHR P16473 1/20 0.47
SLC9A1 P19634 1/20 0.47
MAOA P21397 1/20 0.47
ADORA2A P29274 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 SCHEMBL5015581 0.85 PLAU (0.46) PLAUALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5014171 0.83 SCNN1A (0.52) PLAUALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5015580 0.79 ALDH1A1 (0.49) PLAUALDH1A1KDM4EHPGDHSD17B10
Benzamil SCHEMBL4242779 0.79 PLAU (0.63) PLAUALDH1A1KDM4EHPGDHSD17B10
Benzamil SCHEMBL412783 0.79 PLAU (0.63) PLAUALDH1A1KDM4EHPGDHSD17B10
Benzamil SCHEMBL5433990 0.79 PLAU (0.63) PLAUALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10028719 0.79 SCNN1A (0.61) PLAUALDH1A1KDM4EHPGDHSD17B10
Benzamil SCHEMBL9464171 0.78 PLAU (0.64) PLAUALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5065784 0.77 KCNH2 (0.51) PLAUALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13165413 0.77 SCNN1A (0.52) PLAUALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312212-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-20080312212-A1 Organic Compounds TRPA1, TRPV1, TRPV3 PLAU 3355/4885ALDH1A1 1322/4885KDM4E 3755/4885

“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.