SCHEMBL6044668

SCHEMBL6044668

COc1ccc(Cn2nnc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 14/20 0.77
NAMPT P43490 1/20 0.60
MAPT P10636 1/20 0.57
PLA2G4A P47712 1/20 0.54
MGAM O43451 2/20 0.53
AMY1A P0DUB6 2/20 0.53
GAA P10253 2/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
HPGD P15428 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49

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
SCHEMBL6044299 0.88 HCAR3 (0.67) HCAR3MAPTPLA2G4AMGAMAMY1A
SCHEMBL6043919 0.87 HCAR3 (1.00) HCAR3NAMPTGAA
SCHEMBL28544878 0.85 HCAR3 (0.67) HCAR3NAMPTMAPTPLA2G4AMGAM
SCHEMBL6044303 0.84 HCAR3 (1.00) HCAR3NAMPTHPGDHCAR2
SCHEMBL25339436 0.80 PTK2 (0.50) HCAR3NAMPTMAPTMGAMAMY1A
SCHEMBL19911510 0.79 HCAR3 (0.65) HCAR3MGAMAMY1AGAASI
SCHEMBL15687303 0.79 HCAR3 (0.74) HCAR3NAMPTMAPTHPGD
SCHEMBL6044207 0.79 HCAR3 (0.74) HCAR3NAMPTHPGDHCAR2
SCHEMBL23675185 0.79 HCAR3 (0.56) HCAR3MAPTHPGDHCAR2
SCHEMBL16904968 0.79 HCAR3 (0.70) HCAR3NAMPT

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 7 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 claimed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 WO claimed
WO-2023113027-A1 DETERGENT COMPOSITION 味の素株式会社 2023-06-22 WO disclosed
WO-2020184797-A1 ECO-FRIENDLY METHOD FOR PREPARING UNNATURAL AMINO ACID-BASED ANTIBACTERIAL AND ANTIBIOTIC PRESERVATIVE 고려대학교 산학협력단 2020-09-17 WO disclosed
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-20060105947-A1 Novel chimeric analgesic peptides NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. 2006-05-18 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 85/4885NAMPT 1010/4885MAPT 3284/4885

“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.