SCHEMBL5911331

SCHEMBL5911331

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 2/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
ADORA2B P29275 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL5911151 0.81 CHRM5 (0.46) ALDH1A1MAPTCA1CA2CACNA1F
SCHEMBL5911354 0.80 CACNA1C (0.47) ALDH1A1MAPTCACNA1FCACNA1DCACNA1S
SCHEMBL5911402 0.78 CA1 (0.40) ALDH1A1MAPTCA1CA2KMT2A
SCHEMBL5765323 0.78 ALDH1A1 (0.40) ALDH1A1MAPTCA1CA2CACNA1F
SCHEMBL5911443 0.77 CHRM5 (0.45) ALDH1A1MAPTCA1CA2KMT2A
SCHEMBL5767491 0.76 CA1 (0.47) ALDH1A1MAPTCA1CA2KMT2A
SCHEMBL5764155 0.75 CHRM5 (0.48) ALDH1A1MAPTCA1CA2KMT2A
SCHEMBL5911606 0.74 CHRM5 (0.43) ALDH1A1MAPTCA1CA2CACNA1F
SCHEMBL5911596 0.74 CHRM5 (0.43) ALDH1A1CA1CA2KMT2ACHRM5
SCHEMBL5911255 0.73 NPC1 (0.49) ALDH1A1MAPTCA1CA2KMT2A

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 1 patent. 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

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 3737/4885CA1 4060/4885

“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.