SCHEMBL897075

SCHEMBL897075

O=C(Nc1ccc2nccn2c1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
RAD51 Q06609 1/20 0.50
RET P07949 1/20 0.49
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCHR1 Q99705 1/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NAMPT P43490 1/20 0.47
USP2 O75604 1/20 0.46
MAOB P27338 1/20 0.45
PORCN Q9H237 1/20 0.45
FAAH O00519 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL24756054 0.81 ALDH1A1 (0.48) ALDH1A1MAPTRAD51KMT2AKDM4E
SCHEMBL15890217 0.80 NAMPT (0.56) ALDH1A1RETNAMPT
SCHEMBL30370027 0.79 MCHR1 (0.67) RETKMT2AKDM4EMEN1GFER
SCHEMBL31600774 0.77 ALDH1A1 (0.54) ALDH1A1MAPTRAD51KMT2AKDM4E
SCHEMBL31600350 0.77 NPC1 (0.45) ALDH1A1MAPTRAD51KMT2AKDM4E
SCHEMBL20595896 0.77 RORC (0.51) RETMCHR1NAMPTMAOB
SCHEMBL8063648 0.75 ALDH1A1 (0.82) ALDH1A1MAPTRAD51KMT2AKDM4E
SCHEMBL15376568 0.75 MCHR1 (0.54) ALDH1A1RETKMT2AMEN1MCHR1
SCHEMBL2397057 0.74 PIK3CD (0.46) ALDH1A1MAPTRAD51KMT2AKDM4E
SCHEMBL15377190 0.74 MCHR1 (0.63) RETKDM4ETDP1MCHR1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 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
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
WO-2010141809-A1 ARYL-SUBSTITUTED HETEROCYCLIC 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 (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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH ALDH1A1 709/4885MAPT 1489/4885RAD51 2062/4885
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH ALDH1A1 895/4885MAPT 1165/4885RAD51 3741/4885

“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.