SCHEMBL6013476

SCHEMBL6013476

CCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2Cl)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.56
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 4/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.50
PDE4D Q08499 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL8311191 0.88 MAPT (0.47) ADORA1MAPTKDM4EGAAKMT2A
SCHEMBL8316474 0.86 KMT2A (0.52) ADORA1MAPTKDM4EGAAKMT2A
SCHEMBL9079552 0.84 PDE4D (0.60) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL8316096 0.83 MAPT (0.55) ADORA1MAPTKDM4EGAAKMT2A
SCHEMBL8316035 0.82 MEN1 (0.47) ADORA1MAPTKDM4EGAAKMT2A
SCHEMBL6013455 0.82 PDE4D (0.60) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL7512927 0.80 GAA (0.53) ADORA1MAPTGAAKMT2AMEN1
SCHEMBL8288691 0.79 ADORA1 (0.68) ADORA1MAPTKDM4EGAAKMT2A
SCHEMBL970355 0.79 ADORA1 (0.83) ADORA1MAPTKDM4EGAAKMT2A
SCHEMBL7001450 0.78 KMT2A (0.61) ADORA1MAPTKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987105-B2 Synthesis and use of thienotriazolodiazepines BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2006-01-17 US disclosed
US-20030229078-A1 Synthesis and use of thienotriazolodiazepines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 US disclosed
WO-2001083440-A2 SYNTHESIS AND USE OF THIENOTRIAZOLODIAZEPINES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 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 (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-20030229078-A1 Synthesis and use of thienotriazolodiazepines TBXAS1, TBXA2R, P2RY10 ADORA1 1228/4885MAPT 2386/4885KDM4E 2656/4885

“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.