SCHEMBL581700

SCHEMBL581700

OC1=NCCc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.45
SRD5A2 P31213 1/20 0.45
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CYP19A1 P11511 6/20 0.41
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TYMS P04818 1/20 0.36
METAP1 P53582 1/20 0.36
ADRB2 P07550 1/20 0.36
MAPK10 P53779 2/20 0.35
MAPK14 Q16539 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP2 O95551 1/20 0.35

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
SCHEMBL1010625 0.78 MAOA (0.50) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL31173460 0.75 KDM4E (0.41) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL28785652 0.75 PARP10 (0.44) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL19794689 0.74 CYP19A1 (0.41) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL2616887 0.74 MAPK10 (0.47) PARP10PARP11MAPK10MAPK14MAOA
SCHEMBL5772636 0.74 PLAU (0.44) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL31219986 0.74 CYP19A1 (0.41) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL19453940 0.74 MAPK10 (0.47) CA1CA2CA7CA9CA14
SCHEMBL8483283 0.74 CA1 (0.65) CA1CA2CA7CA9CA14
SCHEMBL22777241 0.74 MAPK10 (0.56) PARP10PARP11CYP11B2CA1CA2

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 SRD5A1 517/4885SRD5A2 618/4885PARP10 1923/4885
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 SRD5A1 511/4885SRD5A2 625/4885PARP10 1775/4885

“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.