SCHEMBL6044172

SCHEMBL6044172

O=C(O)c1cc(F)c2c(c1)nnn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.58
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6044613 0.94 HCAR3 (0.60) HCAR3GAAMEN1KMT2AL3MBTL1
SCHEMBL6044262 0.83 HCAR3 (0.58) HCAR3GAAGALK1ALDH1A1RXFP1
SCHEMBL6044800 0.78 HCAR3 (0.60) HCAR3GAAL3MBTL1GALK1ALDH1A1
SCHEMBL6044966 0.77 HCAR3 (0.48) HCAR3GAAMEN1KMT2AL3MBTL1
SCHEMBL30158867 0.74 HSD17B10 (0.52) HCAR3GAANPC1ALDH1A1HSD17B10
SCHEMBL6043957 0.74 HCAR3 (1.00) HCAR3GAAGALK1RXFP1TP53
SCHEMBL6044199 0.73 HCAR3 (0.41) HCAR3ALDH1A1LMNA
SCHEMBL29187910 0.72 L3MBTL1 (0.53) HCAR3GAAL3MBTL1ALDH1A1LMNA
SCHEMBL6043830 0.72 HCAR3 (0.50) HCAR3GAAMEN1KMT2AL3MBTL1
SCHEMBL6044294 0.71 HCAR3 (0.58) HCAR3GAAMEN1KMT2AL3MBTL1

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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885GAA 70/4885MEN1 4692/4885

“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.