SCHEMBL6704249

SCHEMBL6704249

CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
TP53 P04637 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
SCHEMBL6760215 0.84 ALDH1A1 (0.50) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2616115 0.84 L3MBTL1 (0.57) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL31656235 0.84 L3MBTL1 (0.57) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL5713274 0.83 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNANPC1
SCHEMBL25410674 0.82 NR3C2 (0.43) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL5428356 0.82 ALDH1A1 (0.47) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL6759109 0.82 GAA (0.56) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL16423530 0.81 ALDH1A1 (0.51) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL6760208 0.80 ALDH1A1 (0.46) NR3C2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL751610 0.79 NR1H4 (0.59) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 NR3C2 412/4885ALDH1A1 408/4885MAPT 899/4885

“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.