SCHEMBL6835143

SCHEMBL6835143

O=C(NCCO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
HPGD P15428 3/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.69
LMNA P02545 2/20 0.69
POLB P06746 3/20 0.66
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ATM Q13315 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
THRA P10827 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
TSHR P16473 1/20 0.55

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
Dinitrophenylene SCHEMBL27269874 0.91 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL18798610 0.89 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL9492603 0.88 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL10604299 0.88 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL656530 0.87 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL11112888 0.85 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL8298069 0.85 ALDH1A1 (0.70) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL5507075 0.84 ALDH1A1 (0.70) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL7746602 0.84 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL6345112 0.84 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
WO-2000055179-A1 NOVEL PHOSPHATE AND THIOPHOSPHATE PROTECTING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-6121437-A SYNTHESIS OF OLIGONUCLEOTIDES USING OLIGONUCLEOTIDES OR NUCLEOTIDES WITH PROTECTED INTERNUCLEOSIDIC PHOSPHORUS FUNCTIONALITIES WHICH CAN BE REMOVED UNDER MILD CONDITIONS AND PRODUCE NONTOXIC BY-PRODUCTS ISIS PHARMACEUTICALS, INC. (US) 2000-09-19 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 (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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 ALDH1A1 4612/4885HPGD 3873/4885SMN1; SMN2 1704/4885

“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.