Sugi Predict

Sugi Predict / Compounds / SCHEMBL1065744

SCHEMBL1065744

SCHEMBL1065744

CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc([N+](=O)[O-])c(N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IDO1 P14902 2/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1065745 0.81 MAPT (0.39) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL1067661 0.80 MAPT (0.38) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL5452217 0.78 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL19405909 0.77 GPR35 (0.43) MAPTLMNAALDH1A1TDP1POLB
SCHEMBL20529256 0.77 ATM (0.44) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL9037473 0.76 PTGES (0.43) MAPTTDP1PTGES
SCHEMBL357298 0.76 ALDH1A1 (0.42) MAPTLMNAALDH1A1TDP1SIRT6
SCHEMBL4404861 0.76 IDO1 (0.57) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8291350 0.75 AR (0.39) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL22128468 0.74 ALDH1A1 (0.40) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 — — EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 — — WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — 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 (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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885LMNA 1922/4885ALDH1A1 796/4885

“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.