SCHEMBL6769684

SCHEMBL6769684

COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
KLF5 Q13887 1/20 1.00
RAB9A P51151 8/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
PKM P14618 1/20 0.76
PAX8 Q06710 1/20 0.76
DCLK1 O15075 1/20 0.74
FES P07332 1/20 0.74
PIM1 P11309 1/20 0.74
CDK2 P24941 1/20 0.74
GSK3A P49840 1/20 0.74
GSK3B P49841 1/20 0.74
IRAK1 P51617 1/20 0.74
MAP4K2 Q12851 1/20 0.74
NTRK3 Q16288 1/20 0.74
HIPK4 Q8NE63 1/20 0.74
AURKB Q96GD4 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
STK17A Q9UEE5 1/20 0.74
MAP4K5 Q9Y4K4 1/20 0.74

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
SCHEMBL6766057 0.87 NPC1 (1.00) NPC1KLF5RAB9AL3MBTL1PKM
SCHEMBL4920242 0.86 RAB9A (0.79) NPC1KLF5RAB9AL3MBTL1PKM
SCHEMBL4910026 0.82 NPC1 (1.00) NPC1KLF5RAB9AL3MBTL1MAPT
SCHEMBL2624629 0.81 MAPT (0.71) NPC1KLF5RAB9AMAPTLMNA
SCHEMBL4916511 0.81 NPC1 (1.00) NPC1KLF5RAB9AL3MBTL1MAPT
SCHEMBL30930 0.81 NPC1 (0.73) NPC1KLF5RAB9APKMDCLK1
SCHEMBL4916732 0.81 NPC1 (0.74) NPC1KLF5RAB9AL3MBTL1PKM
SCHEMBL17287756 0.80 NPC1 (0.67) NPC1KLF5RAB9AL3MBTL1PKM
SCHEMBL17287754 0.80 NPC1 (0.67) NPC1KLF5RAB9AL3MBTL1PKM
SCHEMBL13568288 0.80 NPC1 (0.82) NPC1KLF5RAB9AL3MBTL1PKM

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 6 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 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 (1 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-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 3040/4885KLF5 351/4885RAB9A 4564/4885

“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.