SCHEMBL4880986

SCHEMBL4880986

COC(=O)c1ccc2cc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.71
SENP8 Q96LD8 2/20 0.71
SENP7 Q9BQF6 2/20 0.71
SENP6 Q9GZR1 2/20 0.71
KIF11 P52732 1/20 0.54
CHEK2 O96017 1/20 0.51
ITK Q08881 2/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PARP1 P09874 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49

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
SCHEMBL976938 0.89 F2 (0.59) CASP3SENP8SENP7SENP6KIF11
SCHEMBL5434147 0.86 MAPT (0.57) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL28580125 0.84 RAB9A (0.61) CASP3SENP8SENP7SENP6KIF11
SCHEMBL3704691 0.83 CASP3 (1.00) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL29941485 0.83 CASP3 (1.00) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL21657928 0.82 KIF11 (0.50) CASP3SENP8SENP7SENP6KIF11
SCHEMBL22887217 0.82 NPC1 (0.53) CASP3SENP8SENP7SENP6KIF11
SCHEMBL5730440 0.81 KDM4E (0.62) CASP3SENP8SENP7SENP6KIF11
SCHEMBL30344399 0.81 CASP3 (0.77) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL5443742 0.81 CASP3 (0.77) CASP3SENP8SENP7SENP6CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 US disclosed
EP-1673081-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-28 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2005034941-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-04-21 WO disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN CASP3 3258/4885SENP8 4693/4885SENP7 4140/4885
US-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 CASP3 1343/4885SENP8 4535/4885SENP7 4377/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT CASP3 2355/4885SENP8 4254/4885SENP7 4385/4885

“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.