SCHEMBL6044765

SCHEMBL6044765

O=C(O)c1cc(Cl)c2c(c1)nnn2CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 14/20 0.41
TTR P02766 1/20 0.37
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
KMO O15229 1/20 0.34
CDK9 P50750 1/20 0.34
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL6044146 0.85 HCAR3 (0.42) HCAR3HPGDHCAR2
SCHEMBL6044413 0.76 HCAR3 (0.44) HCAR3TTRHPGDHCAR2
SCHEMBL6043680 0.75 HCAR3 (0.68) HCAR3HPGDHCAR2
SCHEMBL6044212 0.74 KDM4C (0.34) HCAR3
SCHEMBL6044270 0.73 KDM4C (0.40) HCAR3MGAMAMY1AGAASI
SCHEMBL6044262 0.69 HCAR3 (0.58) HCAR3TTRMGAMAMY1AGAA
SCHEMBL6044800 0.68 HCAR3 (0.60) HCAR3TTRGAA
SCHEMBL6044659 0.66 HCAR3 (0.39) HCAR3MGAMAMY1AGAASI
SCHEMBL6043601 0.65 KDM4C (0.34)
SCHEMBL16759801 0.64 ALDH1A1 (0.40) TTRHPGD

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 85/4885TTR 3065/4885MGAM 465/4885

“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.