SCHEMBL3519003

SCHEMBL3519003

C[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
CNR1 P21554 2/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 3/20 0.37
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL22445978 0.91 CNR2 (0.44) CNR2CNR1ACHENPC1MAPT
SCHEMBL29643912 0.82 CNR1 (0.36) CNR2CNR1ACHENPC1
SCHEMBL3515098 0.81 MAPT (0.42) CNR2CNR1ACHENPC1MAPT
SCHEMBL29921411 0.79 NPC1 (0.37) CNR2CNR1NPC1ADRA1AHRH1
SCHEMBL4006534 0.78 CNR1 (0.38) CNR2CNR1ACHENPC1MAPT
SCHEMBL29172538 0.78 NPC1 (0.37) CNR2CNR1ACHENPC1MAPT
SCHEMBL4005684 0.77 NR1I2 (0.37) NPC1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL3517125 0.77 CNR1 (0.37) CNR2CNR1ACHENPC1MAPT
SCHEMBL27615251 0.77 CNR1 (0.37) CNR2CNR1ACHENPC1MAOA
SCHEMBL31423185 0.77 DGAT1 (0.41) CNR2CNR1ACHENPC1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 WO disclosed
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
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 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 (3 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 CNR2 2155/4885CNR1 2219/4885ACHE 2085/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CNR2 2663/4885CNR1 2997/4885ACHE 3170/4885
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 CNR2 493/4885CNR1 359/4885ACHE 1116/4885

“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.