SCHEMBL4446227

SCHEMBL4446227

Cc1nc(Cl)nc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.34
TNF P01375 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 2/20 0.30
NQO2 P16083 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16247844 0.86 ALDH1A1 (0.35) ALDH1A1TSHRALOX15NQO2
SCHEMBL4674449 0.78 CYP1A2 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL8568142 0.75 ALDH1A1 (0.35) ALDH1A1TSHRALOX15
SCHEMBL10392936 0.73 MB (0.33) NQO2
SCHEMBL1586433 0.73 ALDH1A1 (0.47) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL3608280 0.73 EGLN1 (0.42) ALDH1A1MAPTNQO2
SCHEMBL1586662 0.73 ALDH1A1 (0.47) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL14438127 0.71 LMNA (0.34) ALDH1A1TSHRALOX15LMNA
SCHEMBL7608160 0.71 LMNA (0.33) ALDH1A1TSHRALOX15MAPTTNF
SCHEMBL11529648 0.71 HPGD (0.40) ALDH1A1TSHRALOX15MAPTTNF

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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A ALDH1A1 633/4885TSHR 2818/4885ALOX15 871/4885

“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.