SCHEMBL4419260

SCHEMBL4419260

CSc1nc(CCC(C(=O)O)C(=O)O)c(C#N)c(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
GRK6 P43250 1/20 0.40
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.38
CFTR P13569 1/20 0.38
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4B Q07343 1/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4419266 1.00 BACE1 (0.41) BACE1MYCWDR5GRK6LMNA
SCHEMBL27524703 0.90 BACE1 (0.36) BACE1MYCWDR5GRK6LMNA
SCHEMBL27524700 0.86 MAPT (0.37) BACE1MYCWDR5LMNAMAPT
SCHEMBL4419269 0.84 GRK6 (0.41) BACE1MYCWDR5GRK6LMNA
SCHEMBL4427518 0.81 MYC (0.46) BACE1MYCWDR5LMNARXFP1
SCHEMBL27562261 0.81 RXFP1 (0.41) BACE1MYCWDR5LMNARXFP1
SCHEMBL5563796 0.80 BACE1 (0.36) BACE1MYCWDR5GRK6ALOX5
SCHEMBL5563801 0.80 BACE1 (0.35) BACE1MYCWDR5GRK6LMNA
SCHEMBL5563808 0.80 BACE1 (0.35) BACE1MYCWDR5GRK6LMNA
SCHEMBL4419984 0.79 MYC (0.51) MYCWDR5LMNARXFP1ALOX5

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 BACE1 3864/4885MYC 1326/4885WDR5 4310/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR BACE1 4442/4885MYC 1199/4885WDR5 4428/4885

“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.