SCHEMBL5765442

SCHEMBL5765442

CC1=C(C(=O)OCCc2ccccc2[N+](=O)[O-])C(CF)NC(=S)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.44
CACNA1D Q01668 6/20 0.44
CACNA1F O60840 5/20 0.44
CACNA1S Q13698 5/20 0.44
ALDH1A1 P00352 6/20 0.43
DHFR P00374 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ADORA3 P0DMS8 4/20 0.41
LMNA P02545 3/20 0.41
ABCC4 O15439 2/20 0.41
ABCB11 O95342 2/20 0.41
CYP1A2 P05177 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
OPRM1 P35372 2/20 0.41
SCN1A P35498 2/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL5766061 0.84 DHFR (0.53) ALDH1A1DHFRSMN1; SMN2CA1CA2
SCHEMBL5764905 0.82 DHFR (0.48) ALDH1A1DHFRSMN1; SMN2CA1CA2
SCHEMBL5766855 0.82 DHFR (0.51) ALDH1A1DHFRSMN1; SMN2CA1CA2
SCHEMBL5766891 0.81 ALDH1A1 (0.42) CACNA1CCACNA1DCACNA1FCACNA1SALDH1A1
SCHEMBL5765323 0.80 ALDH1A1 (0.40) CACNA1CCACNA1DCACNA1FCACNA1SALDH1A1
SCHEMBL5795554 0.80 ALDH1A1 (0.40) CACNA1CCACNA1DCACNA1FCACNA1SALDH1A1
SCHEMBL5764332 0.78 ALDH1A1 (0.48) ALDH1A1DHFRSMN1; SMN2CA1CA2
SCHEMBL5767457 0.78 ALDH1A1 (0.45) ALDH1A1DHFRSMN1; SMN2CA1CA2
SCHEMBL5766842 0.78 ALDH1A1 (0.49) ALDH1A1DHFRSMN1; SMN2CA1CA2
SCHEMBL5766803 0.78 ALDH1A1 (0.48) ALDH1A1DHFRSMN1; SMN2CA1CA2

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-20060116390-A1 Hepatitis c virus inhibitors LG LIFE SCIENCES LTD. (KR) 2006-06-01 US disclosed
EP-1633725-A1 HEPATITIS C VIRUS INHIBITORS LG Life Sciences Ltd. (KR) 2006-03-15 EP disclosed
WO-2004111013-A1 HEPATITIS C VIRUS INHIBITORS LG LIFE SCIENCES LTD. (KR) 2004-12-23 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-20060116390-A1 Hepatitis c virus inhibitors HAVCR2, LIPC, FABP1 CACNA1C 4703/4885CACNA1D 4868/4885CACNA1F 4796/4885

“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.