SCHEMBL773988

SCHEMBL773988

CCCSc1cnc2ccc(OC)cc2c1NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.41
BCHE P06276 7/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
CCR4 P51679 1/20 0.41
HPGDS O60760 1/20 0.41
MAPT P10636 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
SCHEMBL775697 0.99 ACHE (0.42) ACHEBCHEIRAK4EGFRSRC
SCHEMBL773574 0.78 TP53 (0.44) IRAK4CCR4HPGDSMAPT
SCHEMBL775966 0.77 TP53 (0.45) IRAK4HPGDSMAPT
SCHEMBL775253 0.76 CYP1A2 (0.46) EGFRMAPT
SCHEMBL773566 0.76 CYP1A2 (0.46) EGFRMAPT
SCHEMBL23261082 0.73 TP53 (0.60) MAPT
SCHEMBL30764405 0.73 TP53 (0.60) MAPT
SCHEMBL774356 0.70 TNF (0.45)
SCHEMBL774769 0.69 TNF (0.46)
SCHEMBL1401187 0.69 PDGFRB (0.70) EGFRCCR4HPGDS

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 2 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
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 ACHE 722/4885BCHE 1557/4885IRAK4 484/4885

“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.