SCHEMBL406877

SCHEMBL406877

O=C(Oc1ccc(C(=O)OCc2ccccc2)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SRD5A1 P18405 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
SCHEMBL406856 0.84 MAPK1 (0.55) KMT2AALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL11323517 0.81 ALDH1A1 (0.47) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL142445 0.81 ALDH1A1 (0.47) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1279658 0.80 ALDH1A1 (0.46) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL7780925 0.80 MAPK1 (0.47) KMT2ATDP1MAPTALDH1A1HPGD
SCHEMBL862827 0.80 NR4A1 (0.57) KMT2ASLC6A2SLC6A3LMNAMAPT
SCHEMBL463692 0.79 ESR1 (0.52) KMT2ALMNAMAPTALDH1A1HPGD
SCHEMBL10344103 0.78 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9696121 0.78 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
Carbamic Acid SCHEMBL28871401 0.78 CYP2C19 (0.44) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 KMT2A 1095/4885TDP1 141/4885SLC6A2 19/4885

“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.