SCHEMBL582811

SCHEMBL582811

O=c1c2ccc(Br)cc2ccn1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.61
ALDH1A1 P00352 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
MAPK8 P45983 2/20 0.42
ACHE P22303 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLK1 P53350 1/20 0.41
METAP2 P50579 1/20 0.40
GRM2 Q14416 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40

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
SCHEMBL582560 0.92 HSP90AB1 (0.53) HSP90AB1ALDH1A1ALDH2ALDH3A1MAPK8
SCHEMBL581516 0.89 HSP90AB1 (0.52) HSP90AB1ALDH1A1ALDH2ALDH3A1MAPK8
SCHEMBL2120980 0.86 MAPK14 (0.48) HSP90AB1ALDH1A1ALDH2ALDH3A1ACHE
SCHEMBL29283806 0.83 HSP90AB1 (0.76) HSP90AB1ACHEL3MBTL1METAP2GRM2
SCHEMBL31006527 0.83 HSP90AB1 (0.76) HSP90AB1ACHEL3MBTL1METAP2GRM2
SCHEMBL28189599 0.82 HSP90AB1 (0.59) HSP90AB1ALDH1A1ACHEMAPTKDM4E
SCHEMBL20786972 0.81 HTT (0.46) HSP90AB1ALDH1A1TP53KDM4EGRM2
SCHEMBL2627972 0.80 HSP90AB1 (0.58) HSP90AB1ACHEKDM4EL3MBTL1METAP2
SCHEMBL5312433 0.80 HSP90AB1 (0.58) HSP90AB1ACHEKDM4EL3MBTL1METAP2
SCHEMBL20808710 0.80 PSMB1 (0.41) HSP90AB1GRM2

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 HSP90AB1 2269/4885ALDH1A1 373/4885ALDH2 580/4885
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 HSP90AB1 2735/4885ALDH1A1 393/4885ALDH2 613/4885

“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.