SCHEMBL12952129

SCHEMBL12952129

COOCc1ccc(-c2nc(C3CCC3)oc2Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALOX5AP P20292 3/20 0.34
FAAH O00519 3/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1002423 0.68 FAAH (0.40) CA12CA1CA2CA9ALOX5AP
SCHEMBL2562390 0.65 FAAH (0.64) FAAHPIK3CA
SCHEMBL27903316 0.63 FAAH (0.56) FAAH
SCHEMBL27886506 0.61 HDAC1 (0.34) CA12CA1CA2CA9HDAC1
SCHEMBL8424758 0.60 ESR1 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL1003112 0.58 MAPT (0.36) FAAH
SCHEMBL1003113 0.56 DGAT1 (0.32) FAAH
SCHEMBL12285179 0.56 MAOB (0.39) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL3267276 0.56 RXRA (0.49)
SCHEMBL27886547 0.56 HDAC1 (0.37) HDAC1HDAC6HDAC5

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 CA12 3632/4885CA1 1109/4885CA2 1784/4885

“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.