SCHEMBL6013455

SCHEMBL6013455

CCOC(=O)N1CCc2c(sc(NC(=O)CBr)c2C(=O)c2ccccc2Cl)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.60
ADORA3 P0DMS8 1/20 0.60
NPSR1 Q6W5P4 8/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
POLB P06746 1/20 0.55
TP53 P04637 3/20 0.54
MAPK1 P28482 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
SCHEMBL9079552 0.91 PDE4D (0.60) PDE4DADORA3NPSR1ALDH1A1MAPT
SCHEMBL7510715 0.82 PDE4D (0.45) PDE4DADORA3NPSR1ALDH1A1MAPT
SCHEMBL6013476 0.82 ADORA1 (0.56) PDE4DADORA3NPSR1ALDH1A1MAPT
SCHEMBL8315668 0.79 ALDH1A1 (0.46) PDE4DADORA3NPSR1ALDH1A1MAPT
SCHEMBL8313649 0.77 ALDH1A1 (0.47) PDE4DADORA3NPSR1ALDH1A1MAPT
SCHEMBL8311271 0.76 KMT2A (0.48) NPSR1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24442197 0.75 MEN1 (0.44) NPSR1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8315473 0.75 ALDH1A1 (0.48) NPSR1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8316470 0.74 NPSR1 (0.40) PDE4DADORA3NPSR1ALDH1A1MAPT
SCHEMBL7516958 0.74 PDE4D (0.45) PDE4DADORA3NPSR1ALDH1A1MAPT

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 2 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

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 PDE4D 572/4885ADORA3 578/4885NPSR1 1576/4885

“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.