SCHEMBL895941

SCHEMBL895941

O=C(Nc1ccc(-n2cccn2)nc1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 6/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 5/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
NAMPT P43490 1/20 0.48
CXCR4 P61073 1/20 0.47
MAPT P10636 3/20 0.47
RAD51 Q06609 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
GAA P10253 2/20 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
SCHEMBL896526 0.84 ALDH1A1 (0.50) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL896652 0.82 KMT2A (0.52) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL16232250 0.80 KCNJ1 (0.49) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL896535 0.79 ALDH1A1 (0.50) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL14659243 0.78 MAPT (0.53) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL29739547 0.78 ALDH1A1 (0.53) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL29739356 0.78 MAPT (0.53) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL14658673 0.78 ALDH1A1 (0.53) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL896355 0.77 GAA (0.52) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL29739388 0.77 GAA (0.52) KMT2AMEN1KDM4EALDH1A1CYP1A2

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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH KMT2A 656/4885MEN1 3933/4885KDM4E 1200/4885

“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.