SCHEMBL5014168

SCHEMBL5014168

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 12/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
THPO P40225 3/20 0.53
GLA P06280 2/20 0.53
NFKB1 P19838 2/20 0.53
HIF1A Q16665 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
FTO Q9C0B1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GMNN O75496 2/20 0.52
PMP22 Q01453 2/20 0.52

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
SCHEMBL13995446 0.95 SCNN1A (0.51) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL13995455 0.95 SCNN1A (0.51) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL13995443 0.85 SCNN1A (0.50) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL13995451 0.85 SCNN1A (0.55) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL13995419 0.84 KCNH2 (0.53) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL5015580 0.84 ALDH1A1 (0.49) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Benzamil SCHEMBL5433987 0.83 SCNN1A (0.61) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL12120463 0.83 SCNN1A (0.64) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL12433379 0.82 SCNN1A (0.55) SCNN1A
SCHEMBL13995449 0.81 SCNN1A (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312212-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312212-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
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.