SCHEMBL4006534

SCHEMBL4006534

C[Si](C)(C)CCOCn1nc(Sc2ccccc2)c2cc(N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.37
RARG P13631 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4009780 0.83 CNR2 (0.42) CNR1CNR2ACHEMEN1MAPT
SCHEMBL3515098 0.81 MAPT (0.42) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL22445978 0.80 CNR2 (0.44) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL3519003 0.78 CNR2 (0.42) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL29172538 0.78 NPC1 (0.37) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL27615251 0.77 CNR1 (0.37) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL3517125 0.77 CNR1 (0.37) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL31423185 0.77 DGAT1 (0.41) CNR1CNR2ACHENPC1ALOX5AP
SCHEMBL4007070 0.77 MEN1 (0.35) NPC1MEN1MAPTHPGDKMT2A
SCHEMBL3515565 0.76 NPC1 (0.34) CNR1CNR2ACHENPC1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CNR1 2219/4885CNR2 2155/4885ACHE 2085/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CNR1 2997/4885CNR2 2663/4885ACHE 3170/4885

“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.