Sugi Predict

Sugi Predict / Compounds / SCHEMBL5509141

SCHEMBL5509141

SCHEMBL5509141

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)Nc2cccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.56
▸ RORC P51449 1/20 0.54
▸ ALDH1A1 P00352 8/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ ALOX5 P09917 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.47
▸ PAX8 Q06710 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
SCHEMBL5506556 0.87 ALDH1A1 (0.53) WDR5RORCALDH1A1POLBKMT2A
SCHEMBL5504006 0.87 ALDH1A1 (0.56) WDR5RORCALDH1A1POLBKMT2A
SCHEMBL5502680 0.82 HTT (0.49) WDR5ALDH1A1POLBKMT2AHTT
SCHEMBL5503051 0.82 ALDH1A1 (0.52) WDR5ALDH1A1POLBKMT2AMEN1
SCHEMBL5502954 0.82 ALDH1A1 (0.56) WDR5RORCALDH1A1POLBKMT2A
SCHEMBL5509076 0.81 ALDH1A1 (0.60) WDR5ALDH1A1POLBKMT2AMEN1
SCHEMBL5508373 0.80 WDR5 (0.52) WDR5ALDH1A1POLBKMT2AMEN1
SCHEMBL5509112 0.80 L3MBTL1 (0.56) WDR5ALDH1A1POLBKMT2AMEN1
SCHEMBL1619009 0.79 WDR5 (0.52) WDR5RORCALDH1A1POLBKMT2A
SCHEMBL5506503 0.79 PDGFRB (0.62) ALDH1A1POLBKMT2AMEN1HTT

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 6 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-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-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 WDR5 506/4885RORC 1012/4885ALDH1A1 796/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 WDR5 1070/4885RORC 2482/4885ALDH1A1 1173/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 WDR5 1070/4885RORC 2482/4885ALDH1A1 1173/4885

“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.