SCHEMBL2902500

SCHEMBL2902500

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)nc3)n(CC(=O)N(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
SCN9A Q15858 5/20 0.45
PDE5A O76074 4/20 0.41
PIK3CA P42336 4/20 0.36
MTOR P42345 3/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE6A P16499 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL2910421 0.93 CYP3A4 (0.46) CYP3A4CYP2C19SCN9APDE5APIK3CA
SCHEMBL5446206 0.89 SCN9A (0.51) CYP3A4CYP2C19SCN9APDE5A
SCHEMBL5434720 0.82 CYP3A4 (0.41) CYP3A4CYP2C19SCN9APDE5APIK3CA
SCHEMBL12869602 0.82 GRIN1 (0.41) CYP3A4CYP2C19SCN9AGRIN1GRIN2B
SCHEMBL5450904 0.81 PRKCA (0.43) CYP3A4CYP2C19SCN9AGRIN1GRIN2B
SCHEMBL2910856 0.81 SCN9A (0.38) CYP3A4CYP2C19SCN9AHPGDKDM4E
SCHEMBL3000679 0.80 PDE5A (0.39) CYP3A4CYP2C19PDE5APIK3CAMTOR
SCHEMBL2902364 0.80 ALDH1A1 (0.41) CYP3A4CYP2C19SCN9AHPGDKDM4E
SCHEMBL2901499 0.80 ALDH1A1 (0.42) CYP3A4CYP2C19SCN9AHPGDKDM4E
SCHEMBL1173483 0.80 ALDH1A1 (0.42) CYP3A4CYP2C19SCN9AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1758857-B1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2010-08-18 EP disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 US disclosed
EP-1758857-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-03-07 EP disclosed
WO-2006029912-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-03-23 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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 CYP3A4 95/4885CYP2C19 469/4885SCN9A 4172/4885

“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.