SCHEMBL5716682

SCHEMBL5716682

COc1ccccc1C(=O)c1cc2cccnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
CNR2 P34972 2/20 0.50
TP53 P04637 2/20 0.49
HRH4 Q9H3N8 2/20 0.48
RIPK1 Q13546 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
FLT3 P36888 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL5716760 0.86 DRD2 (0.50) MEN1RAB9AKMT2AHRH4RIPK1
SCHEMBL5716786 0.82 ABL1 (0.51) MEN1KMT2ACNR2FLT3ABL1
SCHEMBL5716657 0.81 MEN1 (0.53) MEN1KMT2AHRH4RIPK1HRH3
SCHEMBL6395859 0.80 FLT3 (0.71) CNR2FLT3
SCHEMBL31088687 0.78 HRH4 (0.57) CNR2HRH4RIPK1HRH3DRD2
SCHEMBL4271585 0.78 HRH4 (0.57) CNR2HRH4RIPK1HRH3DRD2
Hydrochloric Acid SCHEMBL1879831 0.76 HRH4 (0.56) CNR2HRH4RIPK1HRH3DRD2
SCHEMBL5716771 0.76 MEN1 (0.57) MEN1RAB9AKMT2ACNR2TP53
SCHEMBL7063837 0.74 HTR6 (0.43) MEN1RAB9AKMT2ACNR2TP53
SCHEMBL7067357 0.74 PDGFRB (0.66) RAB9AFLT3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276720-B1 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (CH) 2006-12-20 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (2 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MEN1 1405/4885RAB9A 2603/4885KMT2A 554/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MEN1 1405/4885RAB9A 2603/4885KMT2A 554/4885

“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.