SCHEMBL5014171

SCHEMBL5014171

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 9/20 0.52
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 6/20 0.52
GLA P06280 5/20 0.52
CYP1A2 P05177 4/20 0.52
GAA P10253 3/20 0.52
CYP2D6 P10635 3/20 0.52
FTO Q9C0B1 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NFKB1 P19838 2/20 0.52
THPO P40225 2/20 0.52
HIF1A Q16665 2/20 0.52
MAPT P10636 1/20 0.52
PLAU P00749 8/20 0.51
LMNA P02545 3/20 0.51

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 0.90 SCNN1A (0.52) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Bromide SCHEMBL3528020 0.89 SCNN1A (0.51) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL13165413 0.85 SCNN1A (0.52) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL5015586 0.83 PLAU (0.55) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Benzamil SCHEMBL5433990 0.82 PLAU (0.63) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Benzamil SCHEMBL412783 0.82 PLAU (0.63) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Benzamil SCHEMBL4242779 0.82 PLAU (0.63) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL10028719 0.82 SCNN1A (0.61) SCNN1AALDH1A1NPC1KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3527480 0.82 SCNN1A (0.46) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Benzamil SCHEMBL9464171 0.81 PLAU (0.64) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A

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 SCNN1A 21/4885ALDH1A1 1322/4885NPC1 1110/4885

“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.