SCHEMBL5864201

SCHEMBL5864201

CC(C)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 2/20 0.54
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
SORT1 Q99523 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL11622453 0.87 MAPT (0.59) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL1644599 0.87 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL28192073 0.85 KMT2A (0.55) ALDH1A1MAPTCYP3A4KMT2AMEN1
SCHEMBL16959197 0.85 ALDH1A1 (0.46) ALDH1A1MAPTALOX15TDP1TP53
SCHEMBL2997136 0.83 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL2997140 0.83 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL30868424 0.82 PPARG (0.50) ALDH1A1MAPTCYP3A4TP53CTSV
SCHEMBL16955946 0.81 ALDH1A1 (0.48) ALDH1A1MAPTTDP1TP53HTT
SCHEMBL29528295 0.80 MAPT (0.55) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL10061468 0.80 MAPT (0.55) ALDH1A1MAPTCYP3A4ALOX15TDP1

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-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ALDH1A1 1345/4885MAPT 4733/4885CYP3A4 500/4885

“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.