SCHEMBL775697

SCHEMBL775697

CCCSc1cnc2ccc(OC)cc2c1NC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.42
BCHE P06276 8/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CCR4 P51679 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 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
SCHEMBL773988 0.99 ACHE (0.41) ACHEBCHEIRAK4EGFRSRC
SCHEMBL775966 0.78 TP53 (0.45) IRAK4MAPTSMN1; SMN2HPGDS
SCHEMBL773574 0.77 TP53 (0.44) IRAK4CCR4MAPTSMN1; SMN2HPGDS
SCHEMBL773566 0.77 CYP1A2 (0.46) EGFRALDH1A1LMNAKDM4EMAPT
SCHEMBL775253 0.77 CYP1A2 (0.46) EGFRALDH1A1KDM4EMAPTHPGD
SCHEMBL23261082 0.72 TP53 (0.60) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL30764405 0.72 TP53 (0.60) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL774769 0.69 TNF (0.46)
SCHEMBL27143800 0.68 MELK (0.52) IRAK4EGFRSRCALDH1A1
SCHEMBL30082232 0.68 ALDH1A1 (0.65) ALDH1A1LMNAMAPT

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.