SCHEMBL6044112

SCHEMBL6044112

O=C(O)c1cc2nnn(C(C(F)(F)F)C(F)(F)F)c2cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 14/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
PKM P14618 1/20 0.34
KCNMA1 Q12791 2/20 0.34
PTGER4 P35408 2/20 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
SCHEMBL6044186 0.84 HCAR3 (0.42) HCAR3HPGDHCAR2PKMKCNMA1
SCHEMBL6044683 0.79 HCAR3 (0.36) HCAR3HPGDHCAR2
SCHEMBL6044709 0.78 HCAR3 (0.69) HCAR3HPGDHCAR2
SCHEMBL6044659 0.76 HCAR3 (0.39) HCAR3KDM4EASPHKDM8
SCHEMBL6044534 0.75 HCAR3 (0.35) HCAR3HPGDHCAR2
SCHEMBL6044124 0.74 KDM4E (0.34) HCAR3HPGDHCAR2KDM4EASPH
SCHEMBL6044099 0.73 HCAR3 (0.45) HCAR3HPGDHCAR2
SCHEMBL6044080 0.72 KEAP1 (0.33) HCAR3HPGDHCAR2
SCHEMBL6044294 0.71 HCAR3 (0.58) HCAR3
SCHEMBL6044060 0.70 HCAR3 (0.33) HCAR3HPGDHCAR2KDM4E

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 85/4885HPGD 382/4885HCAR2 22/4885

“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.