SCHEMBL2980034

SCHEMBL2980034

O=Cc1ccc(O)c2sccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
IDO1 P14902 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERN1 O75460 9/20 0.40
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
PTGS2 P35354 1/20 0.36
TYR P14679 1/20 0.34

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
SCHEMBL3371199 0.85 CYP2A6 (0.47) CYP2A6KDM4ERAB9AMEN1NPC1
SCHEMBL21625562 0.77 CYP2A6 (0.43) CYP2A6MEN1KMT2A
SCHEMBL11661739 0.77 IDO1 (0.39) IDO1
SCHEMBL5150668 0.76 ALDH5A1 (0.37) CYP2A6ERN1PTGS2
SCHEMBL31280833 0.73 CYP2A6 (0.43) CYP2A6ERN1
SCHEMBL2995013 0.73 ALDH1A1 (0.43) CYP2A6KDM4ERAB9AMEN1NPC1
SCHEMBL911335 0.69 DYRK1A (0.40) CYP2A6KDM4EHSP90AA1
SCHEMBL4802963 0.69 KMT2A (0.38) RAB9AMEN1NPC1KMT2AL3MBTL1
SCHEMBL31502533 0.69 ALOX15 (0.33)
SCHEMBL911446 0.69 KDM4E (0.37) KDM4EL3MBTL1

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 CYP2A6 121/4885KDM4E 2792/4885RAB9A 1802/4885

“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.