SCHEMBL1974011

SCHEMBL1974011

CC(C)(C)N(C(=O)O)c1ccccc1CC=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 3/20 0.33
RIPK1 Q13546 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL1208112 0.82 MEN1 (0.37) KMT2AMEN1HTTL3MBTL1CYP2C19
SCHEMBL1209124 0.81 MEN1 (0.36) KMT2AMEN1HTTL3MBTL1CYP2C19
SCHEMBL20564934 0.81 KMT2A (0.36) KMT2AMEN1HTTL3MBTL1CYP2C19
SCHEMBL21046003 0.77 IDO1 (0.42) KMT2AMEN1HTTL3MBTL1
SCHEMBL1427899 0.76 KMT2A (0.40) KMT2AMEN1HTTL3MBTL1CYP2C19
SCHEMBL6005339 0.73 TRPM8 (0.46) KMT2AMEN1HTTL3MBTL1CYP3A4
SCHEMBL1254040 0.72 ATP4A (0.44) L3MBTL1CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL2116911 0.72 PDCD1 (0.44) KMT2AMEN1HTTL3MBTL1PTPN1
SCHEMBL247809 0.71 KDM4E (0.38) KMT2AMEN1HTTL3MBTL1CYP2C19
SCHEMBL28449626 0.71 L3MBTL1 (0.42) KMT2AMEN1HTTL3MBTL1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B KMT2A 1146/4885MEN1 209/4885HTT 244/4885

“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.