SCHEMBL4083384

SCHEMBL4083384

C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc2cc(Br)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL4089420 0.75 LTA4H (0.56) KDM4ETDP1CYP3A4CYP2D6
SCHEMBL4089838 0.75 LTA4H (0.56) KDM4ETDP1CYP3A4CYP2D6
SCHEMBL4079558 0.74 HRH3 (0.55) KDM4ETDP1CYP3A4CYP2D6
SCHEMBL7138018 0.74 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EL3MBTL1HPGD
SCHEMBL4079556 0.74 HRH3 (0.55) KDM4ETDP1CYP3A4CYP2D6
SCHEMBL4079978 0.73 LTA4H (0.54) KDM4ETDP1CYP3A4CYP2D6
SCHEMBL4079969 0.73 LTA4H (0.54) KDM4ETDP1CYP3A4CYP2D6
SCHEMBL8127138 0.73 KMT2A (0.54) ALDH1A1KDM4ETDP1L3MBTL1HPGD
SCHEMBL4083959 0.72 HRH3 (0.53) CYP3A4CYP2D6
SCHEMBL4083961 0.72 HRH3 (0.53) CYP3A4CYP2D6

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 ALDH1A1 3165/4885TSHR 2301/4885KDM4E 3468/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ALDH1A1 3055/4885TSHR 2205/4885KDM4E 3359/4885

“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.