SCHEMBL18878755

SCHEMBL18878755

CNC(=O)CN1CCCC1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HRH3 Q9Y5N1 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
RAD52 P43351 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.42
CHRM2 P08172 1/20 0.42
ESR2 Q92731 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41

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
SCHEMBL4177818 0.84 ALDH1A1 (0.50) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL4079775 0.79 ALDH1A1 (0.52) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL500406 0.79 ALDH1A1 (0.48) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL25202526 0.79 ALDH1A1 (0.48) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL18878630 0.79 CHRM2 (0.45) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL13793842 0.78
SCHEMBL18510165 0.77 ESR2 (0.43) ALDH1A1HPGDRECQLESR2
SCHEMBL2639392 0.77 CHRM2 (0.44) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1376064 0.77 ALDH1A1 (0.47) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL18510215 0.77 ESR2 (0.43) ALDH1A1HPGDRECQLESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL ALDH1A1 725/4885HRH3 4551/4885MEN1 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.