SCHEMBL6778096

SCHEMBL6778096

O=C(OCCO)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
TSHR P16473 1/20 0.53
IDO1 P14902 2/20 0.51
RAB9A P51151 2/20 0.51
AKR1C3 P42330 1/20 0.50
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.45

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
SCHEMBL37664 0.90 HTR2A (0.62) HTR2ATSHRIDO1RAB9AAKR1C3
SCHEMBL11199226 0.86 HTR2A (0.56) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11000854 0.86 HTR2A (0.53) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL26397649 0.86 HTR2A (0.53) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL10732801 0.85 HTR2A (0.55) HTR2ATSHRIDO1RAB9AAKR1C3
SCHEMBL6645015 0.84 RAB9A (0.61) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL9472819 0.84 HTR2A (0.51) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11204688 0.84 HTR2A (0.57) HTR2AIDO1RAB9AHTTALDH1A1
SCHEMBL4725847 0.83 HTR2A (0.59) HTR2ATSHRIDO1RAB9AAKR1C3
SCHEMBL1029307 0.83 HTR2A (0.59) HTR2ATSHRIDO1RAB9AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 HTR2A 4166/4885TSHR 4206/4885IDO1 303/4885

“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.