SCHEMBL6405571

SCHEMBL6405571

COC(=O)c1ccc(-c2ccccc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.54
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46

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
SCHEMBL13635141 0.91 VCAM1 (0.51) VCAM1LMNAMEN1KMT2AHTT
SCHEMBL30863327 0.89 VCAM1 (0.66) VCAM1LMNAMEN1KMT2AMAPT
SCHEMBL2773008 0.86 VCAM1 (0.54) VCAM1LMNAMEN1KMT2AMAPT
SCHEMBL13982727 0.86 MAPT (0.60) LMNAMEN1KMT2AHTTMAPT
SCHEMBL13011426 0.85 VCAM1 (0.53) VCAM1LMNAMEN1KMT2AMAPT
SCHEMBL2484847 0.83 VCAM1 (0.57) VCAM1LMNAMEN1KMT2AMAPT
SCHEMBL13011190 0.83 VCAM1 (0.51) VCAM1MEN1KMT2AMAPTRXFP1
SCHEMBL13011439 0.83 VCAM1 (0.51) VCAM1LMNAMEN1KMT2AMAPT
SCHEMBL3775502 0.83 ERN1 (0.54) VCAM1LMNAMEN1KMT2AHTT
SCHEMBL3781413 0.82 VCAM1 (0.50) VCAM1LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 VCAM1 3770/4885LMNA 1419/4885MEN1 1858/4885

“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.