SCHEMBL586985

SCHEMBL586985

O=c1oc(CCc2ccccc2)nc2ccc(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ELANE P08246 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 5/20 0.49
RXFP1 Q9HBX9 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
PDE10A Q9Y233 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
SCHEMBL6565727 0.91 KDM4E (0.52) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL5780396 0.82 ELANE (0.73) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL4059497 0.81 MAPT (0.60) KDM4EMAPTRXFP1CYP1A2CYP2C19
SCHEMBL692733 0.75 ELANE (0.81) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL29405904 0.75 ELANE (0.81) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL2843939 0.74 NPC1 (0.70) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL6565945 0.74 ELANE (0.55) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL6565653 0.73 ELANE (0.68) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL6567186 0.73 ELANE (0.50) KDM4EELANEMEN1KMT2AMAPT
SCHEMBL6567409 0.73 ELANE (0.50) KDM4EELANEMEN1KMT2AMAPT

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 2972/4885ELANE 264/4885MEN1 2773/4885
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 KDM4E 2774/4885ELANE 286/4885MEN1 2772/4885

“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.