Sugi Predict

Sugi Predict / Compounds / SCHEMBL5503941

SCHEMBL5503941

SCHEMBL5503941

N#Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(=O)NO)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ SLC6A9 P48067 2/20 0.50
▸ SLC6A5 Q9Y345 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HIF1A Q16665 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL5503893 0.84 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL5502976 0.81 L3MBTL1 (0.52) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL5508251 0.81 L3MBTL1 (0.70) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL5503051 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL5502954 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL5506503 0.79 PDGFRB (0.62) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL5509141 0.78 WDR5 (0.56) ALDH1A1KMT2AMEN1POLBNPSR1
SCHEMBL5504006 0.77 ALDH1A1 (0.56) ALDH1A1KMT2APOLBSLC6A5NPSR1
SCHEMBL5506556 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL5509076 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBSLC6A9

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 ALDH1A1 796/4885KMT2A 52/4885MEN1 2635/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 ALDH1A1 1173/4885KMT2A 57/4885MEN1 4198/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 ALDH1A1 1173/4885KMT2A 57/4885MEN1 4198/4885

“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.