SCHEMBL3773335

SCHEMBL3773335

NCC(O)Cn1cccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
FDPS P14324 1/20 0.50
NOS1 P29475 4/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
NOS3 P29474 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NLRP3 Q96P20 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAP2K1 Q02750 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL3768453 0.87 TSHR (0.58) TSHRFDPSNOS1HDAC1HDAC6
SCHEMBL23540099 0.82 TSHR (0.53) TSHRFDPSNOS1HDAC1HDAC6
SCHEMBL7147178 0.82 TSHR (0.53) TSHRFDPSNOS1HDAC1HDAC6
SCHEMBL16889129 0.82 TSHR (0.53) TSHRFDPSNOS1HDAC1HDAC6
SCHEMBL31087987 0.79
SCHEMBL16885285 0.77 TSHR (0.49) TSHRFDPSNOS1HDAC1HDAC6
SCHEMBL9072635 0.76 TSHR (0.47) TSHRFDPSHDAC1HDAC6JAK2
SCHEMBL18231656 0.75
SCHEMBL34468064 0.75
SCHEMBL11189962 0.75

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-7851570-B2 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-12-14 US disclosed
US-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2008-08-28 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-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions PPOX, PORCN, PTGES TSHR 4793/4885FDPS 64/4885NOS1 1050/4885

“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.