SCHEMBL1733955

SCHEMBL1733955

CC(C)(C)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.57
GAA P10253 3/20 0.55
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.45
TBXA2R P21731 1/20 0.44

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
SCHEMBL2315043 0.86 MGLL (0.53) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL23946 0.85 MGLL (0.52) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL2433677 0.84 MGLL (0.51) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL15597494 0.83 ALDH1A1 (0.51) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL27886152 0.82 F2 (0.52) ALDH1A1SMN1; SMN2KMT2AMAPTNPC1
SCHEMBL1053128 0.82 MGLL (0.49) MGLLGAABCL9CTNNB1ALDH1A1
4-Nitrophenyl Methylcarbamate SCHEMBL3337757 0.81 MGLL (0.61) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL16588595 0.81 MGLL (0.60) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL17373926 0.81 MGLL (0.60) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL27638014 0.81 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2KMT2APKM

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
CN-119403787-A 3- (Sulfonyl or iminosulfonyl) prop-2-en-1-yl ] -2-oxo-1, 2-dihydropyridine-3-carboxamide derivatives 福临德治疗公司 2025-02-07 CN disclosed
CN-114423766-B Pentane derivatives for the treatment of bacterial infections 丹诺医药(苏州)有限公司 2024-05-17 CN disclosed
CN-104640861-A Purinone compounds as kinase inhibitors PHARMACYCLICS INC 2015-05-20 CN disclosed
EP-1899325-B1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
EP-1899325-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2006136553-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 MGLL 4531/4885GAA 1018/4885BCL9 2496/4885

“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.