SCHEMBL4084094

SCHEMBL4084094

Brc1ccc2cc(OCCN3CCCCC3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.66
PTGS2 P35354 1/20 0.66
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
HRH3 Q9Y5N1 6/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAOB P27338 1/20 0.58
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56
BACE1 P56817 1/20 0.54

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
SCHEMBL4085732 1.00 LTA4H (0.66) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL1640980 0.98 LTA4H (0.68) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL4080457 0.95 LTA4H (0.64) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL4090273 0.93 ATM (0.68) ATML3MBTL1KDM4EHRH3NPSR1
SCHEMBL8780108 0.89 ATM (0.59) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL5754492 0.88 LTA4H (0.56) LTA4HPTGS2KDM4EPOLBGAA
SCHEMBL227976 0.85 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL227425 0.85 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1KDM4E
SCHEMBL5442329 0.85 TSHR (0.66) LTA4HKDM4EHRH3
SCHEMBL30186207 0.84 HRH3 (0.81) LTA4HHRH3MAOBBACE1

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 5 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
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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 (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 2426/4885PTGS2 1655/4885ATM 107/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LTA4H 2448/4885PTGS2 1604/4885ATM 126/4885

“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.