SCHEMBL582448

SCHEMBL582448

O=C(CCc1ccccc1)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 2/20 0.65
NPC1 O15118 2/20 0.61
MAPK1 P28482 2/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HCAR2 Q8TDS4 5/20 0.56
KDM6B O15054 1/20 0.56
KDM4D Q6B0I6 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
EGLN3 Q9H6Z9 1/20 0.56
RAB9A P51151 2/20 0.56
MCL1 Q07820 1/20 0.55
BCL2A1 Q16548 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL15649049 0.87 KDM4E (0.72) KDM4ETDP1POLBNPC1MAPK1
SCHEMBL9973847 0.86 HCAR2 (0.67) KDM4EPOLBNPC1MAPK1HCAR2
SCHEMBL15647380 0.86 KMT2A (0.67) KDM4ETDP1POLBMAPK1MEN1
SCHEMBL27521280 0.84 HCAR2 (0.73) KDM4EHCAR2
SCHEMBL16653886 0.84 KDM4E (0.57) KDM4ETDP1POLBNPC1MAPK1
SCHEMBL27546619 0.84 HCAR2 (0.64) KDM4EHCAR2
SCHEMBL27546742 0.83 ALOX15 (0.69) KDM4EPOLBMAPK1MEN1KMT2A
SCHEMBL20472023 0.83 NPC1 (0.61) KDM4EPOLBNPC1MAPK1MEN1
SCHEMBL10497116 0.82 HCAR2 (0.78) KDM4ENPC1HCAR2KDM6BKDM4D
SCHEMBL29170998 0.81 NPC1 (0.58) KDM4EPOLBNPC1MAPK1MEN1

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-8802064-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
EP-2416660-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2014-07-02 EP disclosed
US-20130345173-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8546564-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC. 2012-04-19 US disclosed
EP-2416660-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2010118155-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 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-20130345173-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 KDM4E 2972/4885TDP1 2761/4885POLB 4210/4885
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 KDM4E 2774/4885TDP1 2900/4885POLB 4279/4885

“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.