SCHEMBL5087407

SCHEMBL5087407

CC(C)(C)OC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.55
KDM4E B2RXH2 4/20 0.47
HRH4 Q9H3N8 1/20 0.46
MMP13 P45452 1/20 0.46
RAB9A P51151 7/20 0.45
TP53 P04637 2/20 0.45
PYGL P06737 2/20 0.45
NPC1 O15118 7/20 0.44
RXFP1 Q9HBX9 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PRNP P04156 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
PLD2 O14939 1/20 0.43
PLD1 Q13393 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
GUSB P08236 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL7155166 0.89 HRH4 (0.55) KDM4EHRH4RAB9ANPC1ALDH1A1
SCHEMBL5896864 0.86 LEF1 (0.51) LEF1KDM4EHRH4MMP13RAB9A
SCHEMBL5087401 0.85 MMP13 (0.65) KDM4EMMP13RAB9ATP53PYGL
SCHEMBL28082015 0.84 MAOA (0.59) KDM4EHRH4RAB9ATP53PYGL
SCHEMBL931628 0.83 NHERF1 (0.52) HRH4RAB9ATP53PYGLNPC1
SCHEMBL5087408 0.83 LEF1 (0.59) LEF1KDM4EMMP13RAB9ATP53
SCHEMBL23258395 0.82 MEN1 (0.57) KDM4EHRH4RAB9ATP53NPC1
SCHEMBL9524229 0.81 LEF1 (0.53) LEF1KDM4EHRH4MMP13RAB9A
SCHEMBL6177517 0.81 MAPT (0.42) LEF1HRH4RAB9ANPC1ALDH1A1
SCHEMBL3497422 0.81 EGFR (0.57) LEF1KDM4EMMP13RAB9ATP53

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-7329760-B2 CC-1065 analog synthesis IMMUNOGEN INC. (US) 2008-02-12 US disclosed
EP-1492766-B1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2007-05-02 EP disclosed
EP-1492766-B1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2007-05-02 EP disclosed
EP-1492766-A4 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2005-12-14 EP disclosed
EP-1492766-A1 IMPROVED CC-1065 ANALOG SYNTHESIS Immunogen, Inc. (US) 2005-01-05 EP disclosed
WO-2003087055-A1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN, INC. (US) 2003-10-23 WO disclosed
US-20030195365-A1 CC-1065 analog synthesis IMMUNOGEN INC. 2003-10-16 US disclosed
US-6534660-B1 Halogenation, alkylation and ring-closure of protected 2-amino-4-hydroxynaphthalene under suitable conditions to provide desired racemate, isolating (-) isomer, removing protecting groups IMMUNOGEN, INC. 2003-03-18 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 (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-20030195365-A1 CC-1065 analog synthesis DCUN1D5, DCUN1D1, DBN1 LEF1 1682/4885KDM4E 682/4885HRH4 1594/4885

“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.