SCHEMBL5765323

SCHEMBL5765323

CC1=C(C(=O)OCCc2csc([N+](=O)[O-])c2)C(CF)NC(=S)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 2/20 0.37
CACNA1F O60840 3/20 0.37
CACNA1D Q01668 3/20 0.37
CACNA1S Q13698 3/20 0.37
CACNA1C Q13936 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 4/20 0.36
ADORA2B P29275 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
DHFR P00374 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34

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
SCHEMBL5765442 0.80 CACNA1C (0.44) ALDH1A1MAPTCACNA1FCACNA1DCACNA1S
SCHEMBL5795474 0.79 LMNA (0.42) ALDH1A1MAPTCA1CA2KMT2A
SCHEMBL5765472 0.78 ALDH1A1 (0.52) ALDH1A1CA1CA2KMT2AADORA2B
SCHEMBL5765468 0.78 ALDH1A1 (0.52) ALDH1A1CA1CA2KMT2AADORA2B
SCHEMBL5911660 0.78 ALDH1A1 (0.52) ALDH1A1CA1CA2KMT2AADORA2B
SCHEMBL5911331 0.78 ALDH1A1 (0.34) ALDH1A1MAPTCACNA1FCACNA1DCACNA1S
SCHEMBL5766855 0.78 DHFR (0.51) ALDH1A1MAPTCA1CA2LMNA
SCHEMBL5911424 0.77 CA1 (0.44) ALDH1A1CA1CA2KMT2AADORA2B
SCHEMBL5795958 0.76 CA1 (0.42) ALDH1A1MAPTCA1CA2KMT2A
SCHEMBL5794068 0.75 ALDH1A1 (0.42) ALDH1A1MAPTCACNA1FCACNA1DCACNA1S

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 ALDH1A1 1058/4885MAPT 3737/4885CACNA1F 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.