SCHEMBL13629353

SCHEMBL13629353

C=Cc1ncc(OC)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.42
ALDH1A1 P00352 8/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FGFR4 P22455 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 1/20 0.34
TUBB1 Q9H4B7 1/20 0.33
CYP2A6 P11509 1/20 0.33
PRKDC P78527 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19330147 0.77 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29935843 0.77 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29954031 0.75 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL30447805 0.75 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL31533239 0.75 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL16811712 0.75 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL38663611 0.75 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL27812425 0.75 NFE2L2 (0.34) ALDH1A1TSHRFGFR4TUBB1LMNA
SCHEMBL29340191 0.73 ERN1 (0.37) ERN1ALDH1A1TRIM24TRIM33LMNA
SCHEMBL17492311 0.73 ALDH1A1 (0.47) ERN1ALDH1A1TRIM24TYRTRIM33

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-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET ERN1 1995/4885ALDH1A1 1303/4885TRIM24 2239/4885

“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.