SCHEMBL2189185

SCHEMBL2189185

Brc1ccc(-c2cnn(-c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
HPGDS O60760 1/20 0.50
ALKBH2 Q6NS38 1/20 0.50
GRM4 Q14833 8/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2B P41595 1/20 0.48
MTNR1A P48039 1/20 0.48
KCNH2 Q12809 1/20 0.48
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL1129152 0.93 ALDH1A1 (0.48) GAAHPGDSALKBH2GRM4ALDH1A1
SCHEMBL17736002 0.89 GAA (0.57) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL515503 0.87 GAA (0.59) GAAHPGDSALKBH2GRM4ALDH1A1
SCHEMBL513941 0.85 GAA (0.52) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL16872792 0.83 PTGDR2 (0.46) GAAHPGDSALKBH2GRM4ALDH1A1
SCHEMBL12235677 0.82 GRM4 (0.56) GAAHPGDSALKBH2GRM4ALDH1A1
SCHEMBL20560807 0.81 MEN1 (0.46) GAAGRM4ALDH1A1NPC1RAB9A
SCHEMBL15747767 0.80 GRM4 (0.47) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL28980386 0.79 MELK (0.45) HPGDSALKBH2NPC1RAB9AMEN1
SCHEMBL152495 0.79 GAA (0.59) GAAHPGDSALKBH2GRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
CN-102046179-B Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2015-01-14 CN disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
CN-102046179-A Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2011-05-04 CN 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 GAA 344/4885HPGDS 449/4885ALKBH2 2000/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 GAA 344/4885HPGDS 449/4885ALKBH2 2000/4885

“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.