SCHEMBL5202186

SCHEMBL5202186

COC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.68
RAB9A P51151 11/20 0.68
HDAC6 Q9UBN7 1/20 0.65
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 3/20 0.63
HSD17B10 Q99714 2/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
PTPN1 P18031 1/20 0.57
TSHR P16473 3/20 0.56
POLB P06746 2/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
EGFR P00533 1/20 0.54

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
SCHEMBL12918700 0.87 TDP1 (0.65) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL9422430 0.87 CA1 (0.65) NPC1RAB9AHDAC6SMN1; SMN2MAPT
SCHEMBL1505173 0.84 MECP2 (0.60) NPC1RAB9AHDAC6SMN1; SMN2MAPT
SCHEMBL23316878 0.84 HDAC6 (0.70) NPC1RAB9AHDAC6SMN1; SMN2KDM4E
SCHEMBL29215208 0.84 NPC1 (0.58) NPC1RAB9AHDAC6SMN1; SMN2MAPT
SCHEMBL12948027 0.84 MAPT (0.51) NPC1RAB9AHDAC6SMN1; SMN2MAPT
SCHEMBL7323788 0.84 CA1 (0.64) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL7324703 0.84 MAPT (0.64) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL7321777 0.84 MAPT (0.64) NPC1RAB9AHDAC6SMN1; SMN2MAPT
SCHEMBL1931179 0.84 L3MBTL1 (0.52) NPC1RAB9AHDAC6SMN1; SMN2MAPT

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 9 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-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 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
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 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 (2 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG NPC1 828/4885RAB9A 1448/4885HDAC6 3795/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R NPC1 457/4885RAB9A 1063/4885HDAC6 1731/4885

“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.