Sugi Predict

Sugi Predict / Compounds / SCHEMBL4894524

SCHEMBL4894524

SCHEMBL4894524

CC(C)(C)[Si](C)(C)OCCCOc1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ DUT P33316 1/20 0.39
▸ APP P05067 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SLC2A1 P11166 2/20 0.36
▸ NCF1 P14598 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 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
SCHEMBL3056560 0.92 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL25824560 0.83 LTA4H (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL30725918 0.81 GAA (0.53) ALDH1A1DUTAPPLMNAGAA
SCHEMBL14804187 0.81 L3MBTL1 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL3369737 0.80 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1DUT
SCHEMBL6017107 0.80 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1DUT
SCHEMBL358928 0.80 MAPT (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL621401 0.79 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1DUT
SCHEMBL10386552 0.79 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL621076 0.78 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 — — US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 — — US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 — — EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 — — 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 CYP1A2 229/4885CYP2C9 57/4885CYP2C19 174/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 CYP1A2 914/4885CYP2C9 1539/4885CYP2C19 1761/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 CYP1A2 1040/4885CYP2C9 813/4885CYP2C19 1267/4885

“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.