SCHEMBL5639079

SCHEMBL5639079

COC(=O)c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 1/20 0.51
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LIPG Q9Y5X9 1/20 0.43

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
SCHEMBL5639531 0.95 MAPT (0.52) MAPTRAB9ATP53USP2LMNA
SCHEMBL5638740 0.94 MAPT (0.51) MAPTRAB9ATP53USP2LMNA
SCHEMBL5638694 0.89 NPC1 (0.53) MAPTRAB9ATP53GSK3BALDH1A1
SCHEMBL5640100 0.87 PARP10 (0.51) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL5637333 0.86 MAPT (0.55) MAPTRAB9ATP53USP2LMNA
Oxalic Acid SCHEMBL5637959 0.85 PARP10 (0.49) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL5639203 0.85 MAPT (0.55) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5637537 0.84 GSK3B (0.49) MAPTRAB9AGSK3AGSK3BALDH1A1
SCHEMBL5636078 0.84 MAPT (0.57) MAPTRAB9ATP53USP2LMNA
SCHEMBL5639887 0.84 NPC1 (0.52) MAPTRAB9ATP53GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R MAPT 2221/4885RAB9A 1063/4885TP53 4306/4885

“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.