SCHEMBL6766057

SCHEMBL6766057

COc1ccccc1C(=O)Nc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
PKM P14618 1/20 1.00
PAX8 Q06710 1/20 1.00
KLF5 Q13887 1/20 0.76
KDM4E B2RXH2 6/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 4/20 0.70
TP53 P04637 2/20 0.70
HPGD P15428 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HSD17B10 Q99714 1/20 0.70
NCS1 P62166 1/20 0.70
HTT P42858 1/20 0.68
HCRTR1 O43613 1/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67

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
SCHEMBL13568288 0.90 NPC1 (0.82) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL4920242 0.87 RAB9A (0.79) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6769684 0.87 NPC1 (1.00) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL4916732 0.86 NPC1 (0.74) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL1353347 0.84 KDM4E (0.74) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL5740431 0.83 RAB9A (0.70) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL30553297 0.82 RAB9A (0.70) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL16549373 0.82 KDM4E (0.70) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL31119660 0.82 NPC1 (0.69) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL1353349 0.81 KDM4E (0.81) NPC1RAB9AL3MBTL1PKMPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US claimed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 US claimed
EP-0912549-A4 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF UNIV TEXAS (US) 2002-01-02 EP claimed
JP-2000514048-A 2000-10-24 JP claimed
CN-1226245-A Compound with pharmacological activity, preparation method and application thereof UNIV TEXAS (US) 1999-08-18 CN claimed
EP-0912549-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-05-06 EP claimed
WO-1997048694-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-12-24 WO claimed
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES Didenko, Kirill (US) 2025-07-03 US disclosed
WO-2023187599-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES DIDENKO KIRILL (MX) 2023-10-05 WO disclosed
US-20130150399-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-06-13 US disclosed
US-8372861-B2 Inhibitors of the unfolded protein response and methods for their use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-02-12 US disclosed
US-20090312362-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-12-17 US disclosed
US-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US disclosed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 US disclosed
EP-0912549-A4 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF UNIV TEXAS (US) 2002-01-02 EP disclosed
CN-1226245-A Compound with pharmacological activity, preparation method and application thereof UNIV TEXAS (US) 1999-08-18 CN disclosed
EP-0912549-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-05-06 EP disclosed
WO-1997048694-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-12-24 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-20090312362-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE XBP1, HSPA5, RNASE1 NPC1 2719/4885RAB9A 3339/4885L3MBTL1 1596/4885
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants MKI67, HGF, AREG NPC1 3040/4885RAB9A 4564/4885L3MBTL1 4879/4885
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES ACE2, FURIN, SARS1 NPC1 23/4885RAB9A 1443/4885L3MBTL1 1330/4885
US-20130150399-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE XBP1, HSPA5, RNASE1 NPC1 2719/4885RAB9A 3339/4885L3MBTL1 1596/4885

“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.