SCHEMBL5506503

SCHEMBL5506503

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.62
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.55
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 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
SCHEMBL5508251 0.85 L3MBTL1 (0.70) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5503893 0.84 ALDH1A1 (0.74) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5502976 0.82 L3MBTL1 (0.52) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5504006 0.80 ALDH1A1 (0.56) ALDH1A1KMT2APOLBMAPTGAA
SCHEMBL5506556 0.80 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5503051 0.79 ALDH1A1 (0.52) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5502954 0.79 ALDH1A1 (0.56) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5503941 0.79 ALDH1A1 (0.54) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL12341389 0.79 PAX8 (0.65) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL5509141 0.79 WDR5 (0.56) ALDH1A1KMT2APOLBMAPTMEN1

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-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-03 US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 US disclosed
US-7501417-B2 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PDGFRB 3133/4885ALDH1A1 796/4885KMT2A 52/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 PDGFRB 3226/4885ALDH1A1 1173/4885KMT2A 57/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 PDGFRB 3226/4885ALDH1A1 1173/4885KMT2A 57/4885

“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.