SCHEMBL4418754

SCHEMBL4418754

CCOC(=O)c1c(O)nc2nc(SC)nc(-c3cccc([N+](=O)[O-])c3)c2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.51
CACNA1D Q01668 4/20 0.51
CACNA1S Q13698 4/20 0.51
CACNA1C Q13936 4/20 0.51
ACHE P22303 2/20 0.51
CACNB4 O00305 2/20 0.51
CACNA1A O00555 2/20 0.51
CACNA1G O43497 2/20 0.51
CACNG3 O60359 2/20 0.51
CACNA1H O95180 2/20 0.51
CACNB3 P54284 2/20 0.51
CACNA2D1 P54289 2/20 0.51
CACNG7 P62955 2/20 0.51
CACNA1B Q00975 2/20 0.51
CACNB1 Q02641 2/20 0.51
CACNG1 Q06432 2/20 0.51
CACNB2 Q08289 2/20 0.51
CACNA1E Q15878 2/20 0.51
CACNA2D4 Q7Z3S7 2/20 0.51
CACNA2D3 Q8IZS8 2/20 0.51

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
SCHEMBL5037185 0.87 ALDH1A1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL5037184 0.87 ALDH1A1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL4421035 0.82 ACHE (0.49) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL4426414 0.80 LHCGR (0.57) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL4426372 0.74 MAPT (0.45) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL4425667 0.74 SLC6A2 (0.49) CACNA1FCACNA1DCACNA1SCACNA1CACHE
Hydrochloric Acid SCHEMBL10376597 0.70 MAPT (0.55) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL10915430 0.70 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2APDE4B
SCHEMBL14285233 0.70 LHCGR (0.56) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4906981 0.70 LHCGR (0.56) PDE4BPDE4DPDE4APDE4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 US disclosed
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 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 (2 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR CACNA1F 1157/4885CACNA1D 1100/4885CACNA1S 879/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR CACNA1F 1039/4885CACNA1D 895/4885CACNA1S 699/4885

“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.