SCHEMBL851094

SCHEMBL851094

OB(O)c1ccc(SC2CCCC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL851197 0.77 PDGFRB (0.39) PDGFRBPDGFRAKDM4EGLAHTT
SCHEMBL10834649 0.74 MAOA (0.47) PDGFRBPDGFRAKDM4EGLAHTT
SCHEMBL11972062 0.74 DDB1 (0.50) PDGFRBPDGFRAKDM4ESMN1; SMN2MAOA
SCHEMBL11546966 0.72 PDGFRB (0.38) PDGFRBPDGFRAKDM4EGLAHTT
SCHEMBL26085726 0.72 MAOA (0.53) KDM4EMAOAMAOB
SCHEMBL212497 0.71 CA2 (0.38)
SCHEMBL29802448 0.71 CA2 (0.38)
SCHEMBL19641578 0.70 HRH3 (0.36) PDGFRBPDGFRADDB1CRBN
SCHEMBL29956576 0.70 NPC1 (0.38)
Water SCHEMBL1961682 0.69 CA2 (0.37)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 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 (1 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 PDGFRB 1606/4885PDGFRA 1296/4885KDM4E 1965/4885

“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.