SCHEMBL2995697

SCHEMBL2995697

NC(=O)c1ccc(Oc2cccc3c(C=O)cccc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
ERN1 O75460 5/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
OPRK1 P41145 5/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 3/20 0.37
TNKS O95271 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2998027 0.94 LMNA (0.46) PARP10ERN1LMNAMAPTBRD4
SCHEMBL3696875 0.87 PARP10 (0.51) PARP10ERN1LMNABRD4ALDH1A1
SCHEMBL14026747 0.82 TRPA1 (0.39) ERN1LMNABRD4ALDH1A1HTT
SCHEMBL2994036 0.77 PARP10 (0.41) PARP10ERN1LMNAMAPTBRD4
SCHEMBL2991253 0.76 SLC22A12 (0.39) ERN1ALDH1A1HTTTRPA1
SCHEMBL2987010 0.75 NNMT (0.47) SIRT2SIRT1SIRT3OPRK1OPRM1
SCHEMBL29640717 0.72 HTT (0.53) PARP10LMNAALDH1A1HTTPARP1
SCHEMBL2555412 0.72 PARP10 (0.65) PARP10ALDH1A1OPRK1OPRM1OPRD1
SCHEMBL30569945 0.72 PARP10 (0.65) PARP10ALDH1A1OPRK1OPRM1OPRD1
SCHEMBL3692043 0.72 PARP10 (0.46) PARP10LMNABRD4ALDH1A1HTT

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 PARP10 3869/4885ERN1 2496/4885LMNA 4221/4885

“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.