SCHEMBL5518847

SCHEMBL5518847

C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
TP53 P04637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 6/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL5518836 0.88 KDM4E (0.44) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL3538698 0.88 HSD17B10 (0.43) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL5510647 0.84 KDM4E (0.38) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL5522745 0.83 KDM4E (0.44) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL5253124 0.82 KDM4E (0.39) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL5249126 0.80 KDM4E (0.39) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL3536514 0.80 DRD3 (0.44) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL31172421 0.77 NPC1 (0.44) NPC1
SCHEMBL3535293 0.75 NPC1 (0.41) KDM4ETP53ALDH1A1HSD17B10NPC1
SCHEMBL31172384 0.75 NPC1 (0.42) KDM4ENPC1MAPTDRD2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 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 (4 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KDM4E 2501/4885TP53 134/4885ALDH1A1 1759/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KDM4E 2501/4885TP53 134/4885ALDH1A1 1759/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KDM4E 2501/4885TP53 134/4885ALDH1A1 1759/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 KDM4E 2084/4885TP53 20/4885ALDH1A1 1201/4885

“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.