SCHEMBL6835145

SCHEMBL6835145

CC(O)NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 5/20 0.59
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
TP53 P04637 1/20 0.57
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.55
ATM Q13315 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL13226001 0.89 KMT2A (0.63) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL13753413 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL2251023 0.85 KMT2A (0.58) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL13753582 0.85 KMT2A (0.58) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL2251025 0.85 KMT2A (0.58) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL31530476 0.84 SETD7 (0.58) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL11152045 0.84 KMT2A (0.60) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL16166566 0.84 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL13753281 0.83 KMT2A (0.56) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL9631153 0.83 KMT2A (0.56) KMT2AMEN1ALDH1A1CES2CES1

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 KMT2A 4615/4885MEN1 3835/4885ALDH1A1 4612/4885

“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.