SCHEMBL13995437

SCHEMBL13995437

N=C(NCCNS(=O)(=O)c1ccc(OCCCNC(=O)OCc2ccccc2)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SCNN1A P37088 12/20 0.44
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
FTO Q9C0B1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 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
SCHEMBL13995431 0.91 KCNH2 (0.50) KCNH2SCNN1AMAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5015577 0.87 KCNH2 (0.47) KCNH2SCNN1AMAPTKDM4EALDH1A1
SCHEMBL5015580 0.83 ALDH1A1 (0.49) SCNN1AMAPTKDM4EALDH1A1GLA
SCHEMBL13995453 0.81 ALDH1A1 (0.50) KCNH2SCNN1AMAPTKDM4EALDH1A1
SCHEMBL13995445 0.81 ALDH1A1 (0.48) SCNN1AMAPTKDM4EALDH1A1GLA
SCHEMBL13995432 0.80 SCNN1A (0.48) SCNN1AMAPTKDM4EALDH1A1GLA
SCHEMBL10028704 0.78 SCNN1A (0.67) KCNH2SCNN1A
Trifluoroacetic Acid SCHEMBL3520459 0.77 SCNN1A (0.54) KCNH2SCNN1AMAPTKDM4EALDH1A1
SCHEMBL16383771 0.76 SCNN1A (0.55) SCNN1A
SCHEMBL16383862 0.76 SCNN1A (0.55) SCNN1A

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 2 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

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 KCNH2 89/4885SCNN1A 21/4885MAPT 368/4885

“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.