SCHEMBL3598609

SCHEMBL3598609

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H]1CCN(C)[C@@H]1c1cc(O)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.42
NR1I2 O75469 8/20 0.41
CYP3A4 P08684 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 3/20 0.40
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2275022 0.91 KCNH2 (0.51) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL2278637 0.91 KCNH2 (0.51) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL3590641 0.91 PRKCA (0.46) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL11948199 0.91 PRKCA (0.46) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL3587774 0.83 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL11948198 0.83 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL3589924 0.83 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL3590833 0.81 KCNH2 (0.47) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL11948210 0.80 PRKCA (0.53) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL3594290 0.80 PRKCA (0.53) KCNH2NR1I2CYP3A4SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 KCNH2 1925/4885NR1I2 79/4885CYP3A4 130/4885

“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.