SCHEMBL393072

SCHEMBL393072

COC(=O)c1ccc2c(C3CCCCC3F)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
ASH1L Q9NR48 1/20 0.43
HTR2A P28223 2/20 0.43
KIF11 P52732 1/20 0.42
PARP1 P09874 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
NR4A2 P43354 2/20 0.40
RAB9A P51151 1/20 0.39
HSD11B1 P28845 2/20 0.39
EIF2AK2 P19525 1/20 0.39
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
PDE1C Q14123 1/20 0.38

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
SCHEMBL393071 1.00 NPC1 (0.49) NPC1ASH1LHTR2AKIF11PARP1
SCHEMBL393070 1.00 NPC1 (0.49) NPC1ASH1LHTR2AKIF11PARP1
SCHEMBL391137 0.87 NPC1 (0.50) NPC1ASH1LKIF11PARP1GPR84
SCHEMBL391138 0.87 NPC1 (0.50) NPC1ASH1LKIF11PARP1GPR84
SCHEMBL391136 0.87 NPC1 (0.50) NPC1ASH1LKIF11PARP1GPR84
SCHEMBL5349191 0.86 NPC1 (0.49) NPC1ASH1LKIF11PARP1GPR84
SCHEMBL1173868 0.84 NPC1 (0.54) NPC1ASH1LKIF11PARP1GPR84
SCHEMBL51234 0.83 NPC1 (0.53) NPC1ASH1LKIF11PARP1GPR84
SCHEMBL393098 0.77 KIF11 (0.46) HTR2AKIF11PARP1RAB9AGSK3B
SCHEMBL393099 0.77 KIF11 (0.46) HTR2AKIF11PARP1RAB9AGSK3B

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 6 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

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 NPC1 1532/4885ASH1L 2688/4885HTR2A 264/4885
US-20080214522-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 NPC1 1529/4885ASH1L 2504/4885HTR2A 278/4885
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 NPC1 1196/4885ASH1L 3960/4885HTR2A 113/4885

“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.