SCHEMBL851116

SCHEMBL851116

Cc1ccc(Oc2ccc(Br)cc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.41
BCAT2 O15382 1/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.35
P2RX3 P56373 3/20 0.34
LTA4H P09960 1/20 0.34
HTT P42858 1/20 0.34
F2 P00734 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL10134383 0.84 MEN1 (0.83) MEN1KMT2AMAPTBCAT2HPGD
SCHEMBL4797268 0.81 MEN1 (0.59) MEN1KMT2AMAPTBCAT2HPGD
SCHEMBL753246 0.81 MEN1 (0.59) MEN1KMT2ABCAT2SMN1; SMN2NPC1
SCHEMBL4797272 0.81 MEN1 (0.59) MEN1KMT2AMAPTBCAT2HPGD
SCHEMBL753331 0.80 BCAT2 (0.60) MEN1KMT2AMAPTBCAT2HPGD
SCHEMBL20176871 0.78 MEN1 (0.55) MEN1KMT2AMAPTBCAT2HPGD
SCHEMBL8736571 0.78 MEN1 (0.55) MEN1KMT2AMAPTBCAT2SMN1; SMN2
SCHEMBL4050755 0.77 MEN1 (0.53) MEN1KMT2AMAPTBCAT2SMN1; SMN2
SCHEMBL4799694 0.75 MEN1 (0.47) MEN1KMT2AMAPTBCAT2HPGD
SCHEMBL12896425 0.74 TEAD1 (0.50) MEN1KMT2ABCAT2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
CN-102459202-A Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2012-05-16 CN disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 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 (2 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 MEN1 4812/4885KMT2A 2280/4885MAPT 3803/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 MEN1 873/4885KMT2A 1273/4885MAPT 4720/4885

“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.