SCHEMBL5432018

SCHEMBL5432018

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(Cc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.54
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
MAPK8 P45983 2/20 0.41
KMO O15229 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.39
PDE1C Q14123 1/20 0.39
CNR2 P34972 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CCR3 P51677 1/20 0.38
CNR1 P21554 1/20 0.38
SCN9A Q15858 2/20 0.38
PARP1 P09874 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1A1 P14550 1/20 0.38

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
SCHEMBL5441501 0.95 FABP4 (0.48) FABP4PRKCAMMP12KMO
SCHEMBL5435711 0.93 FABP4 (0.49) FABP4PRKCAMMP12TP53PPARG
SCHEMBL5440965 0.91 FABP4 (0.46) FABP4PRKCAMMP12MAPK8KMO
SCHEMBL5443057 0.91 FABP4 (0.45) FABP4PRKCAMMP12LMNATP53
SCHEMBL5431063 0.91 FABP4 (0.44) FABP4PRKCAMMP12MAPK8KMO
SCHEMBL5440988 0.90 FABP4 (0.47) FABP4PRKCAMMP12TP53CNR2
SCHEMBL5437196 0.90 FABP4 (0.46) FABP4PRKCAMMP12MAPK8LMNA
Hydrochloric Acid SCHEMBL5444964 0.90 CNR2 (0.45) FABP4PRKCAMMP12CNR2
SCHEMBL5439956 0.89 FABP4 (0.43) FABP4PRKCAMMP12PDE1CHDAC1
SCHEMBL5444413 0.86 PRKCA (0.46) FABP4PRKCAMMP12KMOSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 US claimed
CN-1863528-A Indoles and azaindoles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-11-15 CN claimed
EP-1673081-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-28 EP claimed
WO-2005034941-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-04-21 WO claimed
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 US disclosed
EP-1673081-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-28 EP disclosed
WO-2005034941-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-04-21 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-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 FABP4 4683/4885PRKCA 4799/4885MMP12 4329/4885

“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.