SCHEMBL4254980

SCHEMBL4254980

COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.75
GAA P10253 1/20 0.75
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 5/20 0.65
ALDH1A1 P00352 3/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 1/20 0.65
HTT P42858 1/20 0.65
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
SNCA P37840 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
F10 P00742 1/20 0.58

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
SCHEMBL8372271 0.90 KMT2A (0.77) TP53GAAKMT2AMEN1L3MBTL1
SCHEMBL8713312 0.90 MEN1 (0.81) TP53GAAKMT2AMEN1L3MBTL1
SCHEMBL18416918 0.87 HTT (0.68) TP53GAAKMT2AMEN1L3MBTL1
SCHEMBL2033537 0.87 MEN1 (0.74) TP53GAAKMT2AMEN1MAPT
SCHEMBL4251085 0.86 MAPT (0.70) TP53GAAKMT2AMEN1L3MBTL1
SCHEMBL28894148 0.86 TP53 (1.00) TP53GAAKMT2AMEN1L3MBTL1
SCHEMBL18459114 0.86 KMT2A (0.59) TP53GAAKMT2AMEN1L3MBTL1
SCHEMBL14288427 0.85 MEN1 (0.68) TP53GAAKMT2AMEN1MAPT
SCHEMBL29961069 0.85 MAPT (0.69) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL27451088 0.84 SNCA (0.57) TP53GAAKMT2AMEN1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030859-B2 Polymerizable compound, polymerizable composition and optical film DONGJIN SEMICHEM CO., LTD. (KR) 2024-07-09 US disclosed
CN-108084096-A 2- phenyl pyrimidine classes compound, preparation method and medical usage 中国药科大学 2018-05-29 CN disclosed
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TP53 4869/4885GAA 374/4885KMT2A 632/4885
US-12030859-B2 Polymerizable compound, polymerizable composition and optical film PARG, PUF60, CRY2 TP53 3231/4885GAA 3401/4885KMT2A 2903/4885
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC TP53 4534/4885GAA 3310/4885KMT2A 3077/4885

“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.