Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609155

SCHEMBL1609155

SCHEMBL1609155

COc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 1.00
▸ GSK3B P49841 1/20 0.66
▸ RAB9A P51151 4/20 0.65
▸ GAA P10253 1/20 0.63
▸ PAX8 Q06710 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ POLB P06746 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RPS6KA2 Q15349 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL29236542 0.85 NPC1 (0.74) NPC1GSK3BRAB9AGAAALDH1A1
SCHEMBL29236730 0.84 NPC1 (0.72) NPC1GSK3BRAB9AALDH1A1NPSR1
SCHEMBL1906596 0.84 GSK3B (0.73) NPC1GSK3BRAB9AALDH1A1MAPT
SCHEMBL543706 0.82 GSK3B (0.75) NPC1GSK3BRAB9AALDH1A1NPSR1
SCHEMBL30546567 0.82 GSK3B (0.75) NPC1GSK3BRAB9AALDH1A1NPSR1
SCHEMBL14288291 0.82 NPC1 (0.69) NPC1RAB9AGAAALDH1A1POLB
Methane SCHEMBL11813940 0.80 GSK3B (0.73) NPC1GSK3BRAB9AALDH1A1NPSR1
SCHEMBL10728019 0.80 NPC1 (0.67) NPC1RAB9AGAAALDH1A1NPSR1
SCHEMBL10728058 0.80 NPC1 (0.67) NPC1RAB9AGAAALDH1A1NPSR1
SCHEMBL29236638 0.80 GSK3B (0.68) NPC1GSK3BRAB9AALDH1A1MAPT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 — — US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 — — US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 — — US disclosed
US-20110086885-A1 Indole-2-carboxylic acid amides PROSIDION LIMITED (GB) 2011-04-14 — — US disclosed
US-20110086885-A1 Indole-2-carboxylic acid amides PROSIDION LIMITED (GB) 2011-04-14 — — US disclosed
US-20110086885-A1 Indole-2-carboxylic acid amides PROSIDION LIMITED (GB) 2011-04-14 — — US disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 — — EP disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 — — EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 — — US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 — — US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 — — US disclosed
EP-1819672-A1 INDOLE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 — — EP disclosed
WO-2006056815-A1 INDOLE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-01 — — WO disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 — — EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 — — US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 — — WO disclosed
US-4533550-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1985-08-06 — — US disclosed
US-4313953-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1982-02-02 — — US disclosed
US-4218458-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-08-19 — — US disclosed
EP-0006712-A1 Heterocyclic derivatives of (4-aryloxymethyl-1.3-dioxolan-2-yl) methyl-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and the derivatives for use as fungicides and bactericides JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 — — EP 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-20110086885-A1 Indole-2-carboxylic acid amides IDO2, IDO1, CPT1A NPC1 591/4885GSK3B 724/4885RAB9A 4099/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB NPC1 1659/4885GSK3B 82/4885RAB9A 4373/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885GSK3B 82/4885RAB9A 4373/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885GSK3B 82/4885RAB9A 4373/4885

“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.