SCHEMBL5863189

SCHEMBL5863189

O=C(O)c1cccc(-c2cccc(CSCCOc3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.57
MRGPRX4 Q96LA9 2/20 0.54
NR1H4 Q96RI1 4/20 0.52
KMO O15229 1/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.46
PTGER1 P34995 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5863173 0.91 MRGPRX4 (0.53) NR4A2MRGPRX4NR1H4KMOKMT2A
SCHEMBL5863160 0.91 NR4A2 (0.53) NR4A2MRGPRX4NR1H4PKM
SCHEMBL5863076 0.86 MEN1 (0.52) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5863212 0.83 PTGER1 (0.49) NR4A2MRGPRX4NR1H4KMOKMT2A
SCHEMBL5863125 0.83 CYP4F2 (0.45) NR4A2ALDH1A1PKMPTGER1
SCHEMBL5863106 0.81 TDP1 (0.52) KMT2ASMN1; SMN2
SCHEMBL5641142 0.79 SMN1; SMN2 (0.52) NR4A2KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5863142 0.79 PKM (0.58) NR4A2PKM
SCHEMBL5863113 0.78 MEN1 (0.51) KMT2ASMN1; SMN2ALDH1A1
Oxalic Acid SCHEMBL5863234 0.78 SIGMAR1 (0.49) KMT2ASMN1; SMN2ALDH1A1

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 8 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 claimed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US claimed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP claimed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO claimed
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 NR4A2 341/4885MRGPRX4 90/4885NR1H4 257/4885

“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.