SCHEMBL5308153

SCHEMBL5308153

CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 1.00
MAPT P10636 9/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
TDP1 Q9NUW8 3/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
LMNA P02545 2/20 1.00
MC4R P32245 2/20 1.00
HTT P42858 2/20 1.00
PTK2B Q14289 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MAPK1 P28482 2/20 0.85
CLK1 P49759 1/20 0.85
GSK3A P49840 1/20 0.85
GSK3B P49841 1/20 0.85
TP53 P04637 2/20 0.82
SLC2A1 P11166 1/20 0.68

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
SCHEMBL2909677 0.85 MAPT (0.79) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL23494034 0.81 MAPT (0.74) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL31307855 0.81 MAPT (0.74) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL528999 0.81 MAPT (0.78) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13692627 0.81 MAPT (0.70) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2913762 0.81 MAPT (0.68) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2909576 0.81 GAA (0.71) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL20435773 0.81 MEN1 (0.88) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2913530 0.80 GAA (0.67) GAAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL31393501 0.80 MAPT (1.00) GAAMAPTSMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
US-20090221624-A1 4-AMINOQUINOLINE COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS OLIVO PAUL D 2009-09-03 US disclosed
US-20090221624-A1 4-AMINOQUINOLINE COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS OLIVO PAUL D 2009-09-03 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 (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-20090221624-A1 4-AMINOQUINOLINE COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS MAVS, EIF2AK2, SARS1 GAA 125/4885MAPT 1032/4885SMN1; SMN2 1577/4885

“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.