SCHEMBL1491341

SCHEMBL1491341

C[Si](C)(C)OCc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 7/20 0.42
APP P05067 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAOA P21397 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 3/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP17A1 P05093 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
SCHEMBL133816 0.79 MAOB (0.39) TSHRTDP1CYP3A4GFERALDH1A1
SCHEMBL14799778 0.79 ESR1 (0.54) CYP3A4ALDH1A1APPL3MBTL1IDO1
SCHEMBL9231415 0.79 AGXT (0.54) TDP1MAOBRAB9ASMN1; SMN2IDO1
SCHEMBL5259580 0.77 IDO1 (0.52) ALDH1A1MAOBAPPMAPTRAB9A
SCHEMBL9141095 0.77 CA1 (0.34) IDO1AGXT
SCHEMBL16639669 0.77 IDO1 (0.42) TSHRTDP1CYP3A4GFERALDH1A1
SCHEMBL2844263 0.76 TSHR (0.52) TSHRTDP1ALDH1A1MAOBMAPT
SCHEMBL9234514 0.76 IDO1 (0.57) TSHRCYP3A4ALDH1A1MAOBAPP
SCHEMBL9549828 0.75 MAPT (0.46) TSHRTDP1CYP3A4GFERALDH1A1
SCHEMBL513260 0.73 TDP1 (0.50) TSHRTDP1CYP3A4GFERALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 TSHR 3751/4885TDP1 989/4885CYP3A4 1852/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 TSHR 894/4885TDP1 1950/4885CYP3A4 522/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 TSHR 1357/4885TDP1 3073/4885CYP3A4 902/4885

“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.