SCHEMBL393098

SCHEMBL393098

COC(=O)c1ccc2c([C@@H]3CCCC[C@H]3F)c(Br)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
PARP1 P09874 3/20 0.44
RAB9A P51151 1/20 0.43
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK2A1 P68400 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
NOTUM Q6P988 1/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL393097 1.00 KIF11 (0.46) KIF11HTR2AKCNH2PARP1RAB9A
SCHEMBL393099 1.00 KIF11 (0.46) KIF11HTR2AKCNH2PARP1RAB9A
SCHEMBL1173615 0.85 KIF11 (0.51) KIF11PARP1RAB9AGSK3BALDH1A1
SCHEMBL50237 0.84 PARP1 (0.50) KIF11PARP1RAB9AGSK3BALDH1A1
SCHEMBL393072 0.77 NPC1 (0.49) KIF11HTR2AKCNH2PARP1RAB9A
SCHEMBL393070 0.77 NPC1 (0.49) KIF11HTR2AKCNH2PARP1RAB9A
SCHEMBL393071 0.77 NPC1 (0.49) KIF11HTR2AKCNH2PARP1RAB9A
SCHEMBL1173684 0.74 MEN1 (0.49) KIF11PARP1RAB9AGSK3BALDH1A1
SCHEMBL14448734 0.73 KIF11 (0.51) KIF11PARP1RAB9AGSK3BALDH1A1
SCHEMBL20874922 0.73 KIF11 (0.60) KIF11PARP1RAB9AALDH1A1HPGD

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 8 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-7767660-B2 Antiviral indoles ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-03 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US disclosed
US-20080214522-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-09-04 US disclosed
EP-1948660-A1 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-30 EP disclosed
WO-2007054741-A1 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-18 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 KIF11 2924/4885HTR2A 264/4885KCNH2 3111/4885
US-20080214522-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 KIF11 3072/4885HTR2A 278/4885KCNH2 3027/4885
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 KIF11 2354/4885HTR2A 113/4885KCNH2 1467/4885

“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.