SCHEMBL3495478

SCHEMBL3495478

O=C(O)c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.63
FYN P06241 1/20 0.63
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 1/20 0.43
NSD2 O96028 1/20 0.42
GAA P10253 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
AKR1C3 P42330 2/20 0.41
ALOX5 P09917 2/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL8439596 0.98 LCK (0.61) LCKFYNKMT2AMEN1TP53
SCHEMBL4360179 0.88 CYP3A4 (0.47) LCKFYNKMT2AMEN1TP53
SCHEMBL4360176 0.86 CYP3A4 (0.46) LCKFYNKMT2AMEN1TP53
SCHEMBL8439600 0.85 CA2 (0.49) LCKFYNKMT2AMEN1TP53
SCHEMBL1172249 0.85 TP53 (0.49) LCKFYNKMT2AMEN1TP53
SCHEMBL11228135 0.83 GAA (0.52) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL668513 0.83 CYP19A1 (0.52) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL28543490 0.81 GAA (0.50) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL11221366 0.81 GAA (0.50) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL132541 0.81 CYP3A4 (0.65) KMT2AMEN1TP53TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-215102081-U Treatment system containing nitric acid system 山东友道化学有限公司 2021-12-10 CN disclosed
CN-212450641-U Nitric acid treatment device containing high-boiling point organic matter 山东友道化学有限公司 2021-02-02 CN disclosed
CN-111792631-A Device and method for treating nitric acid containing high-boiling-point organic matters 山东友道化学有限公司 2020-10-20 CN disclosed
CN-111620397-A Treatment system and treatment method for nitric acid-containing system 山东友道化学有限公司 2020-09-04 CN disclosed
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 US disclosed
US-20050187383-A1 Negatively charged minor groove binders LUKHTANOV, EUGENE 2005-08-25 US disclosed
WO-2003078450-A2 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2003-09-25 WO disclosed
EP-0578148-B1 Biologically recognising layers on solid phases and method for producing same HOFFMANN LA ROCHE (CH) 2000-04-19 EP disclosed
EP-0578148-A2 Biologically recognising layers on solid phases and method for producing same F. HOFFMANN-LA ROCHE AG (CH) 1994-01-12 EP disclosed
US-4642240-A LOW CALORIE SWEETENERS GENERAL FOODS CORPORATION (US) 1987-02-10 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 (2 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-20050187383-A1 Negatively charged minor groove binders PCNA, NCL, HNRNPH3 LCK 2301/4885FYN 2825/4885KMT2A 1372/4885
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS PCNA, NCL, HNRNPH3 LCK 2301/4885FYN 2825/4885KMT2A 1372/4885

“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.