SCHEMBL12508296

SCHEMBL12508296

O=C(CCN1C(=O)C=CC1=O)N/N=C/c1cc(OCCc2ccccc2)ccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 5/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
BRD4 O60885 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12508705 0.83 MEN1 (0.48) ALDH1A1GAAKDM4EMAPTNPSR1
SCHEMBL12509033 0.75 CYP1A2 (0.55) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL12508918 0.74 CYP1A2 (0.50) ALDH1A1GAAKDM4EMAPTNPSR1
SCHEMBL1129280 0.73 PTGES (0.50) MEN1KMT2APTGESALOX5PPARG
SCHEMBL12508706 0.71 HTT (0.58) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL12419805 0.70 ALOX5 (0.48) PTGESALOX5PPARG
SCHEMBL13666757 0.69 SMN1; SMN2 (0.47) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL25583732 0.68 HDAC3 (0.58) ALDH1A1GAAMAPTNPSR1LMNA
SCHEMBL12419820 0.68 PPARG (0.47) ALDH1A1KDM4EPTGESALOX5PPARG
SCHEMBL12419958 0.68 PTGES (0.49) HPGDMEN1KMT2APTGESALOX5

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-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 354/4885GAA 344/4885KDM4E 1442/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 354/4885GAA 344/4885KDM4E 1442/4885

“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.