SCHEMBL3155690

SCHEMBL3155690

Nc1nc(N)c(C(=O)N/C(=N/C(=O)O)NC2CCNCC2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 13/20 0.43
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 7/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 6/20 0.41
GLA P06280 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2D6 P10635 4/20 0.41
THPO P40225 3/20 0.41
GAA P10253 3/20 0.41
NFKB1 P19838 2/20 0.41
HIF1A Q16665 2/20 0.41
FTO Q9C0B1 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
GMNN O75496 2/20 0.40
PMP22 Q01453 2/20 0.40

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
SCHEMBL3155710 1.00 SCNN1A (0.43) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1136823 0.82 SCNN1A (0.48) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL12644497 0.81 SCNN1A (0.43) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL1136717 0.81 SCNN1A (0.42) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1136831 0.72 SCNN1A (0.41) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL15624920 0.70 PLAU (0.52) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL12863454 0.70 SCNN1A (0.31) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1136994 0.69 SCNN1A (0.46) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL15610280 0.69 SCNN1A (0.40) SCNN1AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL3311556 0.69 SCNN1A (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2155721-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008135557-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-11-13 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-20100105660-A1 ORGANIC COMPOUNDS75074 SCNN1A, TRPM4, TRPV4 SCNN1A 1/4885ALDH1A1 1031/4885NPC1 1151/4885

“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.