SCHEMBL4089555

SCHEMBL4089555

C[C@@H]1CCC[C@H](C)N1CCOc1ccc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
HRH3 Q9Y5N1 7/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MAOB P27338 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 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
SCHEMBL4169739 1.00 LTA4H (0.46) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL4094975 0.95 HRH3 (0.46) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL4085030 0.93 HRH3 (0.47) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL22137596 0.88 LTA4H (0.56) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL4091425 0.82 HRH3 (0.48) LTA4HHRH3MAOBKDM4E
SCHEMBL4079978 0.77 LTA4H (0.54) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL4079969 0.77 LTA4H (0.54) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL5780789 0.75 LPL (0.49) LPLLIPGKDM4EHIF1A
SCHEMBL4089420 0.74 LTA4H (0.56) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL4089838 0.74 LTA4H (0.56) LTA4HHRH3HRH2HRH1MAOB

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 LTA4H 2426/4885HRH3 2504/4885HRH2 3624/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LTA4H 2448/4885HRH3 2769/4885HRH2 3827/4885

“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.