SCHEMBL6474642

SCHEMBL6474642

COc1cc(Nc2ccc(CCCc3ccc(Cl)c(Cl)c3)cc2)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CTSV O60911 5/20 0.46
CTSL P07711 5/20 0.46
CDK2 P24941 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
CTSD P07339 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6482333 0.97 KMT2A (0.51) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6484707 0.93 KMT2A (0.44) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6476158 0.93 KMT2A (0.52) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6475104 0.90 KMT2A (0.44) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6474652 0.84 MEN1 (0.65) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6474840 0.84 KMT2A (0.43) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6475459 0.80 KMT2A (0.60) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6474961 0.79 KMT2A (0.48) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6484266 0.79 MEN1 (0.46) KMT2AMEN1RECQLBLMTDP1
SCHEMBL6482234 0.78 KMT2A (0.60) KMT2AMEN1RECQLBLMTDP1

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-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US claimed
US-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-11-04 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 KMT2A 4729/4885MEN1 474/4885RECQL 1257/4885

“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.