SCHEMBL6044199

SCHEMBL6044199

O=C(O)c1cc(F)c2c(nnn2C2CC2)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.41
TOP2A P11388 8/20 0.37
TOP2B Q02880 8/20 0.37
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL6044998 0.95 HCAR3 (0.43) HCAR3TOP2ATOP2BALDH1A1KEAP1
SCHEMBL6044966 0.79 HCAR3 (0.48) HCAR3TOP2ATOP2BNOTUMALDH1A1
SCHEMBL6044720 0.76 HCAR3 (0.51) HCAR3ALDH1A1LMNA
SCHEMBL6044841 0.75 HCAR3 (0.38) HCAR3
SCHEMBL6043830 0.74 HCAR3 (0.50) HCAR3ALDH1A1LMNA
SCHEMBL6044172 0.73 HCAR3 (0.58) HCAR3ALDH1A1LMNA
SCHEMBL6043996 0.72 HCAR3 (0.50) HCAR3ALDH1A1CYP11B2LMNA
SCHEMBL6044080 0.71 KEAP1 (0.33) HCAR3KEAP1NFE2L2
SCHEMBL6043601 0.71 KDM4C (0.34) KEAP1NFE2L2
SCHEMBL6044728 0.71 HCAR3 (0.53) HCAR3ALDH1A1LMNA

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 85/4885TOP2A 2407/4885TOP2B 3645/4885

“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.