SCHEMBL4085969

SCHEMBL4085969

CCN1CCCC1COc1ccc2cc(-c3nn([C@@H]4CCCCO4)c4ccc(C(=O)NC(C)(C)C)cc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
RAB9A P51151 2/20 0.34
DGAT2 Q96PD7 1/20 0.33
IKBKB O14920 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CNR2 P34972 2/20 0.32
CHRNB1 P11230 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
SCHEMBL4085972 1.00 MCHR1 (0.36) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4079746 0.91 MCHR1 (0.37) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4079745 0.91 MCHR1 (0.37) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4079648 0.90 MCHR1 (0.41) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4090069 0.89 TP53 (0.36) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4084914 0.89 MCHR1 (0.38) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4089412 0.89 MAPT (0.42) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4090068 0.89 TP53 (0.36) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4089416 0.89 MAPT (0.42) MCHR1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4170346 0.88 CNR2 (0.40) MCHR1MAPTHRH3CNR2CHEK2

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 MCHR1 2239/4885ALDH1A1 3165/4885KDM4E 3468/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 MCHR1 2035/4885ALDH1A1 3055/4885KDM4E 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.