SCHEMBL4478015

SCHEMBL4478015

CCOC(=O)c1[nH]nc2c1C[C@H]1C(Cc3ccccc3)[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
AURKA O14965 1/20 0.43
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.38
CASP3 P42574 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
HPGDS O60760 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
TRPC5 Q9UL62 1/20 0.36

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
SCHEMBL13631522 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDAURKAMAPK10
SCHEMBL4480517 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDAURKAMAPK10
SCHEMBL13631783 0.85 HCAR2 (0.37) HCAR2
SCHEMBL4560610 0.85 HCAR2 (0.38) ALDH1A1HSD17B10HCAR2KDM4E
SCHEMBL4480935 0.85 HCAR2 (0.38) ALDH1A1HSD17B10HCAR2KDM4E
SCHEMBL4483926 0.85 HCAR2 (0.38) ALDH1A1HSD17B10HCAR2KDM4E
SCHEMBL13631571 0.84 HCAR2 (0.47) ALDH1A1HSD17B10HPGDAURKAMAPK10
SCHEMBL4491886 0.84 HCAR2 (0.47) ALDH1A1HSD17B10HPGDAURKAMAPK10
SCHEMBL4477061 0.84 HCAR2 (0.47) ALDH1A1HSD17B10HPGDAURKAMAPK10
SCHEMBL4488627 0.83 AURKA (0.46) ALDH1A1HSD17B10HPGDAURKAMAPK10

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 3 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-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 (2 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-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 ALDH1A1 794/4885HSD17B10 115/4885HPGD 233/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 ALDH1A1 794/4885HSD17B10 115/4885HPGD 233/4885

“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.