SCHEMBL896641

SCHEMBL896641

O=C(Nc1cccc2nonc12)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 2/20 0.43
FAAH O00519 1/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL1708116 0.84 ALDH1A1 (0.42) KMT2AMEN1TDP1TRPV1NPC1
SCHEMBL620680 0.78 KDM4E (0.67) KMT2AMEN1L3MBTL1MAPK1TDP1
SCHEMBL8154848 0.74 TRPV1 (0.66) KMT2AMEN1TDP1TRPV1NPC1
SCHEMBL2398063 0.73 KDR (0.63) KMT2AMEN1MAPK1TDP1TRPV1
SCHEMBL19472798 0.73 RAB9A (0.55) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL11076373 0.72 KMT2A (0.58) KMT2AMEN1MAPK1TDP1TRPV1
SCHEMBL3144214 0.72 MEN1 (0.61) KMT2AMEN1L3MBTL1TRPV1RAB9A
SCHEMBL1641651 0.71 KMT2A (0.55) KMT2AMEN1TDP1TRPV1NPC1
SCHEMBL1312094 0.70 TRPV1 (0.74) KMT2AMEN1TRPV1NPC1RAB9A
SCHEMBL10310271 0.70 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPK1TDP1

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 10 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
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
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 KMT2A 656/4885MEN1 3933/4885L3MBTL1 4517/4885
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH KMT2A 572/4885MEN1 4260/4885L3MBTL1 3885/4885

“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.