SCHEMBL6395697

SCHEMBL6395697

COc1cccc(C(=O)c2cc3ccccc3[nH]2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
NPC1 O15118 1/20 0.73
RAB9A P51151 1/20 0.73
PDGFRB P09619 5/20 0.71
PDGFRA P16234 5/20 0.71
FLT3 P36888 4/20 0.71
HDAC6 Q9UBN7 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60

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
SCHEMBL6389792 0.89 MEN1 (0.82) MEN1KMT2ANPC1RAB9APDGFRB
SCHEMBL7066570 0.85 MEN1 (0.76) MEN1KMT2ANPC1RAB9APDGFRB
SCHEMBL29402366 0.83 MEN1 (0.62) MEN1KMT2ANPC1RAB9APDGFRB
SCHEMBL14739487 0.83 MEN1 (0.62) MEN1KMT2ANPC1RAB9APDGFRB
SCHEMBL6865103 0.83 FLT3 (1.00) MEN1KMT2APDGFRBPDGFRAFLT3
SCHEMBL6864570 0.83 FLT3 (1.00) MEN1KMT2ANPC1RAB9APDGFRB
SCHEMBL5828518 0.82 MEN1 (1.00) MEN1KMT2APDGFRBPDGFRAFLT3
SCHEMBL29354248 0.82 MEN1 (1.00) MEN1KMT2APDGFRBPDGFRAFLT3
SCHEMBL430192 0.82 NPC1 (0.57) MEN1KMT2ANPC1RAB9APDGFRB
SCHEMBL10227495 0.81 PDGFRB (0.68) MEN1KMT2ANPC1RAB9APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267303-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals ZENTARIS AG 2005-12-01 US disclosed
CN-1551885-A Cyclic indole and heteroindole derivatives, the production and use thereof as medicaments 2004-12-01 CN disclosed
EP-1423393-A1 CYCLIC INDOLE AND HETEROINDOLE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Zentaris GmbH (DE) 2004-06-02 EP disclosed
US-20040039197-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals WATERWORKS, INC. 2004-02-26 US disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
WO-2003020731-A1 CYCLIC INDOLE AND HETEROINDOLE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ZENTARIS GMBH (DE) 2003-03-13 WO disclosed
EP-1276720-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTA Medica AG (DE) 2003-01-22 EP disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US disclosed
WO-2001082909-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (DE) 2001-11-08 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 (4 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 1405/4885KMT2A 554/4885NPC1 3131/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MEN1 1405/4885KMT2A 554/4885NPC1 3131/4885
US-20050267303-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals IDO1, IDO2, INMT MEN1 279/4885KMT2A 4213/4885NPC1 2882/4885
US-20040039197-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals IDO1, IDO2, INMT MEN1 238/4885KMT2A 4213/4885NPC1 2258/4885

“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.