SCHEMBL12952124

SCHEMBL12952124

Cc1ccc(-c2nc(O)co2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PDE4B Q07343 2/20 0.46
NOTUM Q6P988 1/20 0.46
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
IKBKB O14920 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL25676047 0.80 HDAC1 (0.54) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL8836113 0.79 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL243774 0.79 ALDH1A1 (0.55) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL9006892 0.78 ENPP3 (0.66) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL8748085 0.78 ENPP3 (0.66) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL5945890 0.78 ALDH1A1 (0.53) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL8836107 0.76 HDAC1 (0.50) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL15762228 0.76 HDAC1 (0.50) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL1051422 0.76 HDAC1 (0.46) HDAC1HDAC8HDAC6PDE4BNOTUM
SCHEMBL5836945 0.75 ENPP3 (0.54) HDAC1HDAC8HDAC6PDE4BENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 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-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 HDAC1 715/4885HDAC8 714/4885HDAC6 555/4885

“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.