SCHEMBL5793972

SCHEMBL5793972

CC1=C(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C(CF)NC(=S)N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE1C Q14123 1/20 0.41
GUSB P08236 2/20 0.41
CACNA1C Q13936 7/20 0.41
CACNA1F O60840 6/20 0.41
CACNA1D Q01668 6/20 0.41
CACNA1S Q13698 6/20 0.41
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5795554 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1PDE1CGUSBCACNA1C
SCHEMBL5767662 0.79 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1LMNAMAPTALOX12
SCHEMBL5765770 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1PDE1CGUSBCACNA1C
SCHEMBL5767262 0.76 MAPK1 (0.44) ALDH1A1GUSBLMNAMAPTALOX12
SCHEMBL5763392 0.75 HTT (0.50) ALDH1A1L3MBTL1GUSBLMNAMAPT
SCHEMBL5766857 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNAMAPTALOX12
SCHEMBL5766592 0.74 GAA (0.46) ALDH1A1L3MBTL1GUSBLMNAMAPT
SCHEMBL5765442 0.74 CACNA1C (0.44) ALDH1A1CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL5766636 0.73 SMN1; SMN2 (0.62) ALDH1A1L3MBTL1LMNAADORA3MAPT
SCHEMBL5794209 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAMAPTALOX12

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 1058/4885L3MBTL1 4120/4885PDE1C 4822/4885

“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.