SCHEMBL2901499

SCHEMBL2901499

COC(=O)c1ccc2c(C3CCCCC3)c(C3CC3)n(CC(=O)N(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ATM Q13315 1/20 0.40
CNR2 P34972 2/20 0.36
SCN9A Q15858 1/20 0.36
USP14 P54578 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
MAPT P10636 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
SCHEMBL1173483 0.88 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL2902364 0.86 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL2909716 0.85 ALDH1A1 (0.40) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL1173495 0.85 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL2901984 0.84 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL1174438 0.83 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL1174442 0.82 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL3594377 0.81 CREBBP (0.36) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL2910856 0.80 SCN9A (0.38) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL12869602 0.80 GRIN1 (0.41) ALDH1A1HPGDNPSR1KDM4ELMNA

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 160/4885HPGD 2755/4885NPSR1 163/4885

“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.