SCHEMBL773574

SCHEMBL773574

CCCS(=O)(=O)c1cnc2ccc(OC)cc2c1NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MELK Q14680 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
HPGDS O60760 2/20 0.41
PDE4B Q07343 1/20 0.41
CES2 O00748 1/20 0.41
CCR4 P51679 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL775966 0.99 TP53 (0.45) TP53POLBMAPTSMN1; SMN2MELK
SCHEMBL23261082 0.83 TP53 (0.60) TP53POLBMAPTSMN1; SMN2PDE4B
SCHEMBL30764405 0.83 TP53 (0.60) TP53POLBMAPTSMN1; SMN2PDE4B
SCHEMBL773988 0.78 ACHE (0.41) MAPTIRAK4HPGDSCCR4
SCHEMBL775697 0.77 ACHE (0.42) MAPTSMN1; SMN2IRAK4HPGDSCCR4
SCHEMBL774927 0.70 TNF (0.45) CA12CA1CA2CA7CA13
SCHEMBL27143800 0.68 MELK (0.52) MELKIRAK4
SCHEMBL30082232 0.67 ALDH1A1 (0.65) TP53MAPTMELK
SCHEMBL22395669 0.67 ALDH1A1 (0.65) TP53MAPTMELK
SCHEMBL1401187 0.67 PDGFRB (0.70) HPGDSCCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-03-22 US disclosed
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-03-22 US disclosed
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-03-22 US disclosed
WO-2011022216-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-24 WO disclosed
WO-2011022216-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-24 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-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HMOX2, HMOX1, MPO TP53 1850/4885POLB 1283/4885MAPT 2803/4885

“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.