SCHEMBL2993870

SCHEMBL2993870

CCc1nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c(N2CCN(C)CC2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.43
MCHR1 Q99705 2/20 0.37
CISD1 Q9NZ45 1/20 0.35
HDAC1 Q13547 1/20 0.35
CSF1R P07333 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
MEN1 O00255 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
HTR2B P41595 1/20 0.32

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
SCHEMBL2993528 0.92 MEN1 (0.36) ENPP2CISD1HDAC1FABP3FABP4
SCHEMBL2984473 0.86 CISD1 (0.40) ENPP2CISD1HDAC1FABP3FABP4
SCHEMBL2993018 0.85 CISD1 (0.39) ENPP2CISD1HDAC1FABP3FABP4
SCHEMBL4586124 0.85 ENPP2 (0.45) ENPP2MCHR1CISD1CSF1RMEN1
SCHEMBL2993654 0.85 CISD1 (0.38) ENPP2CISD1HDAC1FABP3FABP4
SCHEMBL4585167 0.81 CSF1R (0.51) ENPP2MCHR1CISD1CSF1RMEN1
SCHEMBL5054187 0.81 MEN1 (0.58) ENPP2CSF1RMEN1MAPK10KMT2A
SCHEMBL2993867 0.81 MEN1 (0.58) ENPP2CSF1RMEN1MAPK10KMT2A
Trifluoroacetic Acid SCHEMBL2988379 0.81 ENPP2 (0.37) ENPP2MCHR1CISD1HDAC1MEN1
SCHEMBL2990222 0.79 CISD1 (0.40) ENPP2CISD1HDAC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ENPP2 954/4885MCHR1 3324/4885CISD1 3112/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ENPP2 508/4885MCHR1 159/4885CISD1 3370/4885

“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.