SCHEMBL406279

SCHEMBL406279

O=C(OCCOCc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
PKM P14618 2/20 0.39
TEAD3 Q99594 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MGLL Q99685 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GRM5 P41594 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL405911 0.92 NAAA (0.45) KMT2AMEN1GAACCNE1CDK2
SCHEMBL6168143 0.87 HCAR2 (0.45) PKMALDH1A1SMN1; SMN2MGLLALOX12
SCHEMBL142445 0.87 ALDH1A1 (0.47) KMT2AMEN1CCNE1CDK2GSK3B
SCHEMBL11323517 0.87 ALDH1A1 (0.47) KMT2AMEN1CCNE1CDK2GSK3B
SCHEMBL1279658 0.85 ALDH1A1 (0.46) KMT2AMEN1CCNE1CDK2GSK3B
SCHEMBL19332361 0.85 TSHR (0.38) GAACCNE1CDK2GSK3BPKM
Carbamic Acid SCHEMBL28871401 0.83 CYP2C19 (0.44) KMT2AMEN1CCNE1CDK2GSK3B
SCHEMBL11989407 0.82 ALDH1A1 (0.32) ALDH1A1MGLLALOX12TSHR
SCHEMBL29842557 0.82 ALDH1A1 (0.32) ALDH1A1MGLLALOX12TSHR
SCHEMBL4683288 0.81 LMNA (0.59) KMT2AMEN1GAACCNE1CDK2

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 1095/4885MEN1 4620/4885GAA 73/4885

“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.