SCHEMBL4953735

SCHEMBL4953735

O=[N+]([O-])Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 2/20 0.61
RECQL P46063 1/20 0.61
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 2/20 0.50
ACHE P22303 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
CXCR2 P25025 1/20 0.48
CA12 O43570 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48

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
4-Nitroaniline SCHEMBL9302985 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL16986581 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL18289622 0.80 HPGD (0.83) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL31732365 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL4957626 0.80 HPGD (0.83) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL395942 0.80 HPGD (0.83) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL18289621 0.80 HPGD (0.83) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL22567 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL27909482 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL9639901 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10RECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115927097-B Bacillus bailii FC02, microbial inoculum, preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-06-18 CN disclosed
CN-115927097-B Bacillus bailii FC02, microbial inoculum, preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-06-18 CN disclosed
US-9120799-B2 Crystalline bipyridinium radical complexes and uses thereof NORTHWESTERN UNIVERSITY (US) 2015-09-01 US disclosed
US-20150191470-A1 CRYSTALLINE BIPYRIDINIUM RADICAL COMPLEXES AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2015-07-09 US disclosed
EP-1961726-A1 Process for the conversion of glycerol and catalytically active material suitable therefore Netherlands Organisation for Scientific Research (Advanced Chemical Technologies For Substantability) (NL) 2008-08-27 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 (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-20150191470-A1 CRYSTALLINE BIPYRIDINIUM RADICAL COMPLEXES AND USES THEREOF PRDX4, SOD1, CYB5R3 ALDH1A1 3651/4885HSD17B10 2839/4885RECQL 930/4885

“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.