SCHEMBL5065778

SCHEMBL5065778

N=C(NCCCNC(=O)Cc1ccccc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
SCNN1A P37088 13/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
GLA P06280 2/20 0.53
NPC1 O15118 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
NFKB1 P19838 2/20 0.53
THPO P40225 2/20 0.53
HIF1A Q16665 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
FTO Q9C0B1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GMNN O75496 2/20 0.53
PMP22 Q01453 2/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL13995447 0.98 KCNH2 (0.58) KCNH2SCNN1AALDH1A1HPGDKDM4E
SCHEMBL13995451 0.96 SCNN1A (0.55) KCNH2SCNN1AALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL5014164 0.91 SCNN1A (0.51) KCNH2SCNN1AALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL3524032 0.89 KCNH2 (0.51) KCNH2SCNN1AALDH1A1HPGDKDM4E
SCHEMBL12120463 0.87 SCNN1A (0.64) SCNN1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13995455 0.86 SCNN1A (0.51) KCNH2SCNN1AALDH1A1HPGDKDM4E
SCHEMBL13995446 0.84 SCNN1A (0.51) KCNH2SCNN1AALDH1A1HPGDKDM4E
Benzamil SCHEMBL5433987 0.83 SCNN1A (0.61) SCNN1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13995448 0.83 SCNN1A (0.48) SCNN1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13165922 0.82 SCNN1A (0.51) SCNN1AALDH1A1HPGDKDM4EHSD17B10

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 KCNH2 89/4885SCNN1A 21/4885ALDH1A1 1322/4885

“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.