SCHEMBL5864166

SCHEMBL5864166

O=C(O)c1cccc([N+](=O)[O-])c1C(=O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.48
POLB P06746 3/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 2/20 0.45
MMP1 P03956 1/20 0.44

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
SCHEMBL29172358 0.85 L3MBTL1 (0.62) ALDH1A1L3MBTL1RAB9ATSHRCYP3A4
SCHEMBL19451176 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1RAB9ATSHRCYP3A4
SCHEMBL5474287 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1RAB9ATSHRTDP1
SCHEMBL3803733 0.79 TSHR (0.58) ALDH1A1L3MBTL1TSHRCYP3A4TDP1
SCHEMBL5863891 0.79 ALDH1A1 (0.55) ALDH1A1L3MBTL1RAB9ATSHRCYP3A4
SCHEMBL5864426 0.79 ALDH1A1 (0.71) ALDH1A1L3MBTL1RAB9ATSHRCYP3A4
SCHEMBL28753589 0.79 RAB9A (0.58) ALDH1A1L3MBTL1RAB9ATSHRSMN1; SMN2
SCHEMBL10649262 0.78 CYP3A4 (0.51) ALDH1A1L3MBTL1RAB9ATSHRCYP3A4
SCHEMBL8547913 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1RAB9ATSHRCYP3A4
SCHEMBL26289589 0.77 KMT2A (0.51) ALDH1A1TSHRCYP3A4TDP1HPGD

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 1345/4885L3MBTL1 1537/4885RAB9A 3295/4885

“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.