SCHEMBL2991863

SCHEMBL2991863

NC(=O)c1ccc(Oc2ccc(C=O)c3cccnc23)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
IDO1 P14902 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NNMT P40261 2/20 0.43
OPRM1 P35372 9/20 0.42
OPRD1 P41143 7/20 0.42
OPRK1 P41145 7/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 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
SCHEMBL2987024 0.86 OPRM1 (0.48) NNMTOPRM1OPRD1OPRK1MAPT
SCHEMBL2987010 0.81 NNMT (0.47) NNMTOPRM1OPRD1OPRK1GRIN2D
SCHEMBL2984458 0.79 KMT2A (0.46) KDM4EMEN1KMT2AHSP90AA1L3MBTL1
SCHEMBL2988742 0.77 NNMT (0.43) KDM4EL3MBTL1NNMTOPRM1OPRD1
SCHEMBL2994091 0.77 NNMT (0.43) KDM4EL3MBTL1NNMTOPRM1OPRD1
SCHEMBL3696164 0.77 NNMT (0.48) KDM4EL3MBTL1NNMTOPRM1OPRD1
SCHEMBL2992748 0.75 OPRM1 (0.43) KDM4EMEN1KMT2ANNMTOPRM1
SCHEMBL3701566 0.75 NNMT (0.51) NNMTOPRM1OPRD1OPRK1GRIN2D
SCHEMBL3698482 0.74 NNMT (0.54) HSP90AA1NNMTOPRM1OPRD1OPRK1
SCHEMBL2990017 0.74 OPRM1 (0.48) NNMTOPRM1OPRD1OPRK1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 KDM4E 2792/4885MEN1 4566/4885KMT2A 1758/4885

“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.