SCHEMBL6542832

SCHEMBL6542832

C=CCNC(C)CCCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
FAAH O00519 2/20 0.35
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 4/20 0.33
FOLH1 Q04609 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 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
SCHEMBL6542821 0.84 SMN1; SMN2 (0.36) TSHRSMN1; SMN2MAPTFAAHSLC6A4
SCHEMBL11277100 0.76 SLC6A4 (0.37) SLC6A4
SCHEMBL2585984 0.75 ADH1B (0.39) TSHRSMN1; SMN2MAPTFAAHSLC6A4
SCHEMBL17887504 0.75 SLC6A4 (0.39) SLC6A4ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL7345987 0.74 ALDH1A1 (0.41) TSHRSMN1; SMN2MAPTALDH1A1DPP4
SCHEMBL8645342 0.73 ADH1B (0.47) TSHRSMN1; SMN2MAPTFAAHSLC6A4
SCHEMBL11277200 0.72
SCHEMBL26008395 0.72
SCHEMBL11319997 0.72 ADH1B (0.55) MAPTFAAHALDH1A1FOLH1DPP4
SCHEMBL21226 0.71 KMT2A (0.43) TSHRSMN1; SMN2MAPTFOLH1KMT2A

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
EP-1003762-B1 BASE ANALOGUES AMERSHAM PLC (GB) 2004-10-13 EP disclosed
US-6605611-B2 Nucleoside and nucleotide analogues labelled with a reporter moiety NYCOMED AMERSHAM PLC (GB) 2003-08-12 US disclosed
US-20030060431-A1 Base analogues NYCOMED AMERSHAM PLC 2003-03-27 US disclosed
US-6444682-B1 Base analogues NYCOMED AMERSHAM PLC (GB) 2002-09-03 US disclosed
EP-1003762-A2 BASE ANALOGUES Nycomed Amersham PLC (GB) 2000-05-31 EP disclosed
WO-1999006422-A2 BASE ANALOGUES NYCOMED AMERSHAM PLC (GB) 1999-02-11 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-20030060431-A1 Base analogues NSUN2, XPO6, SNRPB2 TSHR 769/4885SMN1; SMN2 489/4885MAPT 3573/4885

“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.