SCHEMBL5863113

SCHEMBL5863113

CCOC(=O)c1cccc(-c2ccc(CSCCOc3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
CA2 P00918 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5863076 0.93 MEN1 (0.52) MEN1POLBKMT2ACA2TDP1
SCHEMBL5863183 0.90 MAPT (0.53) MEN1POLBKMT2ATDP1L3MBTL1
SCHEMBL5863106 0.89 TDP1 (0.52) MEN1POLBKMT2ACA2TDP1
SCHEMBL5863173 0.87 MRGPRX4 (0.53) KMT2A
SCHEMBL5863152 0.84 CA2 (0.54) POLBCA2NPC1RAB9A
SCHEMBL5863066 0.84 MEN1 (0.50) MEN1POLBKMT2ATDP1L3MBTL1
SCHEMBL5638993 0.81 SMN1; SMN2 (0.57) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL5863181 0.81 SMN1; SMN2 (0.47) MEN1KMT2ATDP1L3MBTL1NPC1
SCHEMBL2404818 0.79 NPC1 (0.59) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL5863189 0.78 NR4A2 (0.57) KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R MEN1 705/4885POLB 4500/4885KMT2A 655/4885

“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.