SCHEMBL2217529

SCHEMBL2217529

O=C(NCCCN1CCOCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.86
MEN1 O00255 5/20 0.86
SMN1; SMN2 Q16637 5/20 0.86
GAA P10253 1/20 0.86
GFER P55789 1/20 0.86
MAPT P10636 7/20 0.84
ALDH1A1 P00352 2/20 0.84
TP53 P04637 2/20 0.65
HTT P42858 2/20 0.65
THRB P10828 1/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
USP7 Q93009 2/20 0.59

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
SCHEMBL2219175 0.93 KMT2A (1.00) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2218106 0.90 KMT2A (0.88) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2219588 0.89 KMT2A (1.00) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2360523 0.88 KMT2A (0.71) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2229536 0.86 MAPT (0.89) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2227633 0.86 MAPT (0.89) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL13822374 0.86 MAPT (0.89) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2227405 0.84 KMT2A (0.77) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL2219850 0.81 KMT2A (0.73) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL14634957 0.81 KMT2A (0.75) KMT2AMEN1SMN1; SMN2GAAGFER

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-20110177105-A1 Novel Selective Inhibitors of Ubiquitin Specific Protease 7, the Pharmaceutical Compositions Thereof and Their Therapeutic Applications HYBRIGENICS SA (FR) 2011-07-21 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-20110177105-A1 Novel Selective Inhibitors of Ubiquitin Specific Protease 7, the Pharmaceutical Compositions Thereof and Their Therapeutic Applications USP7, SENP7, PSMA7 KMT2A 2349/4885MEN1 4159/4885SMN1; SMN2 2877/4885

“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.