SCHEMBL6480116

SCHEMBL6480116

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.58
CTSL P07711 3/20 0.58
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
MAPT P10636 7/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
CDK2 P24941 3/20 0.48
BLM P54132 2/20 0.48
NPC1 O15118 1/20 0.48
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL6482694 0.90 CTSV (0.67) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6480305 0.89 CTSV (0.65) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6474702 0.85 CTSV (0.63) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6474969 0.85 KMT2A (0.66) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6484456 0.84 CTSV (0.78) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL7331642 0.83 CTSV (0.77) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6484226 0.83 CTSV (0.73) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6482858 0.82 MEN1 (0.70) KMT2AMEN1AKR1C3AKR1C2BLM
SCHEMBL6475459 0.81 KMT2A (0.60) CTSVCTSLKMT2AMEN1MAPT
SCHEMBL6482234 0.81 KMT2A (0.60) CTSVCTSLKMT2AMEN1MAPT

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 10 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-6846890-B2 Norbornene derivative and norbornene polymer obtained therefrom through ring opening polymerization JSR CORPORATION (JP) 2005-01-25 US disclosed
US-20040242824-A1 NORBORNENE DERIVATIVE AND NORBORNENE POLYMER OBTAINED THEREFROM THROUGH RING OPENING POLYMERIZATION JSR CORPORATION (JP) 2004-12-02 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-1435350-A1 NORBORNENE DERIVATIVE AND NORBORNENE POLYMER OBTAINED THEREFROM THROUGH RING-OPENING POLYMERIZATION JSR Corporation (JP) 2004-07-07 EP 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 3193/4885KMT2A 4729/4885

“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.