SCHEMBL4421035

SCHEMBL4421035

CCOC(=O)c1ccc2nc(SC)nc(-c3cccc([N+](=O)[O-])c3)c2c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
CACNA1F O60840 2/20 0.49
CACNA1D Q01668 2/20 0.49
CACNA1S Q13698 2/20 0.49
CACNA1C Q13936 2/20 0.49
CACNB4 O00305 1/20 0.49
CACNA1A O00555 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNG3 O60359 1/20 0.49
CACNA1H O95180 1/20 0.49
BCHE P06276 1/20 0.49
CACNB3 P54284 1/20 0.49
CACNA2D1 P54289 1/20 0.49
CACNG7 P62955 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNB1 Q02641 1/20 0.49
CACNG1 Q06432 1/20 0.49
CACNB2 Q08289 1/20 0.49
CACNA1E Q15878 1/20 0.49
CACNA2D4 Q7Z3S7 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
SCHEMBL4421572 0.87 SMN1; SMN2 (0.50) MAPTALDH1A1RAB9AMAPK1SMN1; SMN2
SCHEMBL4432167 0.84 LHCGR (0.54) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4418754 0.82 CACNA1F (0.51) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7143226 0.81 LHCGR (0.51) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4426414 0.81 LHCGR (0.57) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4425667 0.76 SLC6A2 (0.49) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4423867 0.74 LHCGR (0.48) MAPTALDH1A1SMN1; SMN2FOSJUN
SCHEMBL4426372 0.74 MAPT (0.45) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4432379 0.72 LHCGR (0.43) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4423221 0.72 LHCGR (0.41) MAPTALDH1A1MEN1RAB9AKMT2A

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 9 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
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP 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
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 EP disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 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 (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 ACHE 3372/4885CACNA1F 1157/4885CACNA1D 1100/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR ACHE 3581/4885CACNA1F 1039/4885CACNA1D 895/4885

“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.