SCHEMBL393361

SCHEMBL393361

COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(OC)OC)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR2 P34972 2/20 0.37
SCN9A Q15858 2/20 0.37
USP14 P54578 1/20 0.36
PPM1D O15297 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL10293471 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL771509 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL1173428 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL772730 0.85 PKM (0.43) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL773119 0.84 JAK2 (0.42) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL3073515 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL3085979 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL3079983 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL1173483 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1ATMHPGD
SCHEMBL4821597 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPSR1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
US-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-06-11 US disclosed
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 WO disclosed
EP-1926733-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-06-04 EP disclosed
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
WO-2007029029-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US disclosed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 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 (3 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 ALDH1A1 1086/4885SMN1; SMN2 4288/4885NPSR1 494/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 ALDH1A1 634/4885SMN1; SMN2 4740/4885NPSR1 244/4885
US-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, ZC3HAV1, ZC3HAV1L ALDH1A1 644/4885SMN1; SMN2 4684/4885NPSR1 334/4885

“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.