SCHEMBL5767067

SCHEMBL5767067

CC1=C(C(=O)OCCc2cccc([N+](=O)[O-])c2)C(CO)NC(=S)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 7/20 0.53
CACNA1D Q01668 7/20 0.53
CACNA1S Q13698 7/20 0.53
CACNA1C Q13936 7/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
THPO P40225 2/20 0.51
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE1C Q14123 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5795319 0.88 LMNA (0.51) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5911405 0.87 CACNA1C (0.47) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5911603 0.86 CACNA1C (0.46) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5767258 0.86 ALDH1A1 (0.47) KMT2AMAPTLMNAALDH1A1L3MBTL1
SCHEMBL5792331 0.85 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5911571 0.85 MEN1 (0.45) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5912066 0.84 CACNA1C (0.48) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5767096 0.84 MEN1 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5911409 0.84 MEN1 (0.45) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL5911511 0.84 CACNA1C (0.44) CACNA1FCACNA1DCACNA1SCACNA1CMEN1

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 CACNA1F 4796/4885CACNA1D 4868/4885CACNA1S 4871/4885

“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.