SCHEMBL2194580

SCHEMBL2194580

O=C(O)N1CCCC(n2cnc3ccc(O)nc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 6/20 0.44
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
JAK1 P23458 3/20 0.36
USP2 O75604 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HDAC1 Q13547 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2193737 0.84 HCAR1 (0.65) HCAR1GAAJAK1ALDH1A1HPGD
SCHEMBL2195952 0.83 HCAR1 (0.47) HCAR1HSD17B10GAAJAK1HDAC1
SCHEMBL2195250 0.83 HCAR1 (0.47) HCAR1HSD17B10GAAJAK1HDAC1
SCHEMBL2193662 0.82 HCAR1 (0.48) HCAR1HSD17B10GAAJAK1HDAC1
SCHEMBL2195177 0.82 HCAR1 (0.48) HCAR1HSD17B10GAAJAK1HDAC1
SCHEMBL2195668 0.82 HCAR1 (0.48) HCAR1HSD17B10GAAJAK1HDAC1
SCHEMBL2195406 0.75 HCAR1 (0.51) HCAR1HSD17B10GAAJAK1
SCHEMBL2193525 0.74 HCAR1 (0.50) HCAR1HSD17B10GAAHDAC1NPC1
SCHEMBL2192372 0.74 HCAR1 (0.50) HCAR1JAK1
SCHEMBL3647369 0.73 JAK1 (0.39) JAK1USP2NPC1

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-8507473-B2 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders ARENA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-07-14 US 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-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS GPR84, GPR119, GPR65 HCAR1 28/4885HSD17B10 1203/4885GAA 3306/4885

“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.