SCHEMBL4489553

SCHEMBL4489553

O=C(O)c1[nH]nc2c1C[C@H]1C(c3ccccc3)[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.42
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALPL P05186 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HDAC4 P56524 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK1 P49759 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4480327 1.00 HCAR2 (0.42) HCAR2HSD17B10KDM4EALPLALDH1A1
SCHEMBL4527215 1.00 HCAR2 (0.42) HCAR2HSD17B10KDM4EALPLALDH1A1
SCHEMBL4487380 0.82 AURKA (0.46) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL4488627 0.82 AURKA (0.46) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL4560610 0.79 HCAR2 (0.38) HCAR2HSD17B10KDM4EALPLALDH1A1
SCHEMBL4483926 0.79 HCAR2 (0.38) HCAR2HSD17B10KDM4EALPLALDH1A1
SCHEMBL4486365 0.77 HCAR2 (0.42) HCAR2HSD17B10KDM4EALPLALDH1A1
SCHEMBL13638104 0.76 HCAR2 (0.55) HCAR2
SCHEMBL13631486 0.76 HCAR2 (0.55) HCAR2
SCHEMBL13631488 0.76 HCAR2 (0.55) HCAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 HCAR2 300/4885HSD17B10 115/4885KDM4E 2821/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885HSD17B10 115/4885KDM4E 2821/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885HSD17B10 115/4885KDM4E 2821/4885

“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.