SCHEMBL4426372

SCHEMBL4426372

CCOC(=O)C(C(=O)OCC)=C(N)c1c(N)nc(SC)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 2/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
BCHE P06276 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40

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
SCHEMBL4418754 0.74 CACNA1F (0.51) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL10915430 0.74 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1ALOX5
SCHEMBL4421035 0.74 ACHE (0.49) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL4426414 0.73 LHCGR (0.57) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL4425667 0.73 SLC6A2 (0.49) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL4419984 0.71 MYC (0.51) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL14285239 0.70 RXFP1 (0.49) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL7846297 0.69 RAB9A (0.44) MAPTALDH1A1RAB9AKDM4ELMNA
Hydrochloric Acid SCHEMBL10376597 0.68 MAPT (0.55) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL4906981 0.68 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 7 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
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 MAPT 4796/4885ALDH1A1 1372/4885MAPK1 3648/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MAPT 4807/4885ALDH1A1 1340/4885MAPK1 3612/4885

“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.