SCHEMBL3387165

SCHEMBL3387165

C[Si](C)(C)c1ccc(CNCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA9 Q16790 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
CHRM2 P08172 1/20 0.51
BCHE P06276 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3390609 1.00 CA12 (0.55) CA12CA1CA2CA4CA9
SCHEMBL3388206 0.83 L3MBTL1 (0.68) CA12CA1CA2CA4CHRM2
SCHEMBL3388638 0.83 L3MBTL1 (0.68) CA12CA1CA2CA4CHRM2
SCHEMBL3390640 0.83 CYP1A2 (0.56) TAAR1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL10557535 0.79 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL8127992 0.79 BCHE (0.74) CA12CA1CA2CA4CA9
SCHEMBL22495461 0.79 BCHE (0.74) CA12CA1CA2CA4CA9
SCHEMBL16982019 0.78 L3MBTL1 (0.57) CA12CA1CA2CA4CA9
SCHEMBL3244925 0.77 CA1 (0.62) CA12CA1CA2CA4CA9
SCHEMBL5681339 0.75 TAAR1 (0.67) CA12CA1CA2CA4CA9

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
CN-101378763-B Trialkylsilylbenzylaminocarboxyindoles, indazoles and indolines and their use in treating CETP-mediated disorders HOFFMANN LA ROCHE 2013-05-22 CN claimed
CN-101378763-B Trialkylsilylbenzylaminocarboxyindoles, indazoles and indolines and their use in treating CETP-mediated disorders HOFFMANN LA ROCHE 2013-05-22 CN disclosed
EP-1984002-B1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7572823-B2 Heteroaryl carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1984002-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2007090750-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185182-A1 Heteroaryl carboxamide compounds HOFFMAN-LA ROCHE INC. 2007-08-09 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 (1 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-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 CA12 1722/4885CA1 3846/4885CA2 568/4885

“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.