Sugi Predict

Sugi Predict / Compounds / SCHEMBL6474465

SCHEMBL6474465

SCHEMBL6474465

O=C(O)c1ccccc1Nc1ccc(CCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 3/20 0.59
▸ CTSL P07711 3/20 0.59
▸ AURKA O14965 1/20 0.57
▸ DAPK3 O43293 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ RET P07949 1/20 0.57
▸ IGF1R P08069 1/20 0.57
▸ MET P08581 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ FLT1 P17948 1/20 0.57
▸ LTK P29376 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ MAP2K2 P36507 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ CSNK1A1 P48729 1/20 0.57
▸ CDK8 P49336 1/20 0.57

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
SCHEMBL6475440 0.90 MEN1 (0.57) CTSVCTSLMEN1KMT2ABLM
SCHEMBL9551973 0.89 CTSV (0.71) CTSVCTSLAURKADAPK3JAK2
SCHEMBL4251354 0.89 CTSV (0.71) CTSVCTSLAURKADAPK3JAK2
SCHEMBL4227740 0.84 AKR1C3 (0.60) CTSVCTSLAURKADAPK3JAK2
SCHEMBL6481725 0.83 MEN1 (0.62) AURKAAURKBMEN1KMT2ABLM
SCHEMBL6484456 0.82 CTSV (0.78) CTSVCTSLMEN1KMT2ABLM
SCHEMBL6475772 0.82 MEN1 (0.76) CTSVCTSLMEN1KMT2ABLM
SCHEMBL6474416 0.82 SIRT2 (0.62) CTSVCTSLMEN1KMT2ABLM
SCHEMBL6482855 0.81 SIRT2 (0.77) CTSVCTSLMEN1KMT2ABLM
SCHEMBL16489009 0.80 PLK1 (0.64) CTSVCTSLMAPK8MEN1KMT2A

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
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 — — US claimed
EP-1225886-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-07-31 — — EP claimed
WO-2000076489-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO claimed
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 — — US disclosed
US-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-11-04 — — US disclosed
EP-1225886-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-07-31 — — EP disclosed
WO-2000076489-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — 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-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits APP, PSEN1, BACE1 CTSV 2743/4885CTSL 3193/4885AURKA 3508/4885

“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.