SCHEMBL1129152

SCHEMBL1129152

Brc1ccc(-n2cc(-c3ccccc3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NLRP3 Q96P20 1/20 0.46
GAA P10253 1/20 0.46
GRM4 Q14833 7/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MELK Q14680 3/20 0.44
HTR2B P41595 1/20 0.44
MTNR1A P48039 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAP4K4 O95819 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGDS O60760 1/20 0.42
ALKBH2 Q6NS38 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2189185 0.93 GAA (0.50) ALDH1A1MAPK1NPC1RAB9AGAA
SCHEMBL513941 0.89 GAA (0.52) NPC1RAB9AGAAGRM4NFKB1
SCHEMBL515503 0.87 GAA (0.59) ALDH1A1NPC1RAB9AGAAGRM4
SCHEMBL17736002 0.85 GAA (0.57) NPC1RAB9AGAAGRM4NFKB1
SCHEMBL23833610 0.81 GRM4 (0.41) NPC1RAB9AGAAGRM4NFKB1
SCHEMBL30094480 0.81 GRM4 (0.41) NPC1RAB9AGAAGRM4NFKB1
SCHEMBL20560807 0.81 MEN1 (0.46) ALDH1A1NPC1RAB9AGAAGRM4
SCHEMBL16872792 0.80 PTGDR2 (0.46) ALDH1A1NPC1RAB9AGAAGRM4
SCHEMBL18999306 0.79 GRM4 (0.50) GAAGRM4MELKHTR2BMTNR1A
SCHEMBL18999326 0.79 GRM4 (0.50) GAAGRM4MELKHTR2BMTNR1A

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 7 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
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO 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 ALDH1A1 354/4885MAPK1 3568/4885NPC1 472/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 354/4885MAPK1 3568/4885NPC1 472/4885

“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.