SCHEMBL5509112

SCHEMBL5509112

Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(=O)NO)CC2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PANK3 Q9H999 1/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 4/20 0.53
PAX8 Q06710 2/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL5504006 0.89 ALDH1A1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5508251 0.87 L3MBTL1 (0.70) L3MBTL1ALDH1A1RAB9APAX8SMN1; SMN2
SCHEMBL5502954 0.84 ALDH1A1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL5509076 0.83 ALDH1A1 (0.60) L3MBTL1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5506556 0.82 ALDH1A1 (0.53) L3MBTL1ALDH1A1PAX8SMN1; SMN2KMT2A
SCHEMBL5508373 0.81 WDR5 (0.52) L3MBTL1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5509141 0.80 WDR5 (0.56) L3MBTL1ALDH1A1PAX8SMN1; SMN2KMT2A
SCHEMBL5503051 0.78 ALDH1A1 (0.52) L3MBTL1ALDH1A1PAX8SMN1; SMN2KMT2A
SCHEMBL12341393 0.78 SLC6A9 (0.67) L3MBTL1ALDH1A1RAB9APAX8RECQL
SCHEMBL5502976 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1KMT2AMEN1SLC6A5

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 L3MBTL1 1291/4885PANK3 974/4885ALDH1A1 796/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 L3MBTL1 762/4885PANK3 2516/4885ALDH1A1 1173/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 L3MBTL1 762/4885PANK3 2516/4885ALDH1A1 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.