SCHEMBL2902364

SCHEMBL2902364

COC(=O)c1ccc2c(C3CCCCC3)c(C=O)n(CC(=O)N(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CNR2 P34972 2/20 0.37
SCN9A Q15858 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ATM Q13315 1/20 0.37
USP14 P54578 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRKCA P17252 1/20 0.34

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
SCHEMBL2909716 0.91 ALDH1A1 (0.40) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1174442 0.88 ALDH1A1 (0.38) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1173483 0.86 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL2901499 0.86 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1173495 0.83 ALDH1A1 (0.39) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL2901984 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1174438 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL12596846 0.81 SCN9A (0.49) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL2910856 0.81 SCN9A (0.38) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL5233882 0.80 PRKCA (0.42) ALDH1A1KDM4ESCN9APRKCAMMP12

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 ALDH1A1 160/4885NPSR1 163/4885KDM4E 656/4885

“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.