SCHEMBL6704649

SCHEMBL6704649

COC(=O)c1ccccc1Cc1ccc([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KCNMA1 Q12791 2/20 0.43
GAA P10253 1/20 0.42
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC29A1 Q99808 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RORC P51449 1/20 0.41
POLB P06746 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL6697878 0.84 NR3C2 (0.47) MAPTMEN1KMT2AKCNMA1GAA
SCHEMBL7594732 0.82 SMN1; SMN2 (0.54) MAPTMEN1KMT2AGAAPKM
SCHEMBL7092077 0.81 ALDH1A1 (0.49) MAPTMEN1KMT2AGAAPKM
SCHEMBL6162009 0.80 PKM (0.53) MAPTGAAPKMHTTALDH1A1
SCHEMBL6699491 0.79 MAPT (0.52) MAPTMEN1KMT2AGAAHTT
SCHEMBL18708055 0.78 ALDH1A1 (0.46) MAPTKMT2AGAAPKMHTT
SCHEMBL7399739 0.77 POLB (0.48) MAPTMEN1KMT2AGAAPKM
SCHEMBL28075702 0.76 MAPT (0.50) MAPTMEN1KMT2AGAAPKM
SCHEMBL6490529 0.75 SMN1; SMN2 (0.46) MAPTMEN1KMT2APKMHTT
SCHEMBL30676217 0.74 SMN1; SMN2 (0.47) MAPTMEN1KMT2AKCNMA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 US disclosed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient PTGER1, PTGER4, PTGES MAPT 899/4885MEN1 4656/4885KMT2A 3534/4885

“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.