SCHEMBL5880840

SCHEMBL5880840

CCCNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ALOX12 P18054 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
DDX3X O00571 1/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
ICMT O60725 1/20 0.49

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
SCHEMBL2010242 0.90 MAPT (0.56) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL4611265 0.89 ALDH1A1 (0.52) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL5605034 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL3476083 0.88 ALDH1A1 (0.51) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL28211599 0.86 MAPT (0.57) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL730213 0.86 MAPT (0.62) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL16943226 0.85 MAPT (0.56) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL28826075 0.84 ALDH1A1 (0.54) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL29780605 0.83 MEN1 (0.54) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT
SCHEMBL30067720 0.83 KMT2A (0.58) ALDH1A1ALOX12HPGDSMN1; SMN2MAPT

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-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 ALDH1A1 729/4885ALOX12 2379/4885HPGD 1963/4885

“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.