SCHEMBL6624294

SCHEMBL6624294

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 1/20 0.57
TGM2 P21980 1/20 0.52
MGLL Q99685 2/20 0.50
RAB9A P51151 1/20 0.49
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.45
AKR1C3 P42330 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
SCHEMBL10500161 0.89 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6418689 0.88 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11391394 0.86 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL10825541 0.86 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL13647947 0.86 MGLL (0.67) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6397257 0.86 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL10756101 0.85 DPP8 (0.59) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6942547 0.85 HTT (0.68) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11099186 0.85 DPP8 (0.56) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL147036 0.85 DPP8 (0.59) DPP8DPP9TGM2MGLLRAB9A

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 7 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
EP-1251133-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2004-10-13 EP disclosed
US-6680313-B2 1-HYDROXYETHYL-2(IMIDAZO(5,1B)THIAZOL-2-YL-1-CARBAPEN-2-EM-3-C CARBOXYLIC ACID OR SALT, EXCELLENT ANTIBIOTIC ACTIVITY AGAINST A WIDE SPECTRUM OF BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030027809-A1 Novel carbapenum derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-06 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
EP-1251133-A1 NOVEL CARBAPENEM DERIVATIVES 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 (2 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-20030027809-A1 Novel carbapenum derivatives DHPS, DPEP1, OXA1L DPP8 64/4885DPP9 206/4885TGM2 3877/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 DPP8 173/4885DPP9 312/4885TGM2 4704/4885

“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.