SCHEMBL6043830

SCHEMBL6043830

O=C(O)c1cc2nnn(C3CCC3)c2c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.50
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RXFP1 Q9HBX9 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 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
SCHEMBL6044966 0.94 HCAR3 (0.48) HCAR3ALDH1A1TSHRMEN1KMT2A
SCHEMBL6044998 0.80 HCAR3 (0.43) HCAR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6044613 0.78 HCAR3 (0.60) HCAR3GRM5ALDH1A1RXFP1MEN1
SCHEMBL6043787 0.78 HCAR3 (0.60) HCAR3GRM5ALDH1A1RXFP1TSHR
SCHEMBL6044199 0.74 HCAR3 (0.41) HCAR3ALDH1A1LMNA
SCHEMBL6044800 0.73 HCAR3 (0.60) HCAR3ALDH1A1RXFP1L3MBTL1TP53
SCHEMBL6044259 0.73 HCAR3 (0.60) HCAR3GRM5ALDH1A1RXFP1TSHR
SCHEMBL6044172 0.72 HCAR3 (0.58) HCAR3ALDH1A1RXFP1MEN1KMT2A
SCHEMBL6044294 0.72 HCAR3 (0.58) HCAR3ALDH1A1TSHRMEN1KMT2A
SCHEMBL6044422 0.72 HCAR3 (0.40) HCAR3ALDH1A1MEN1KMT2ANPC1

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 85/4885GRM5 254/4885ALDH1A1 607/4885

“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.