SCHEMBL6771895

SCHEMBL6771895

O=C(OCc1ccc([N+](=O)[O-])cc1)OC[C@@H]1C[C@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.37
HTT P42858 2/20 0.37
AKR1C3 P42330 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL9640607 0.90 ALDH1A1 (0.42) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL10739299 0.90 ALDH1A1 (0.42) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL9519940 0.86 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390151 0.86 TDP1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10861535 0.86 TDP1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9640929 0.86 TDP1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9520887 0.85 TDP1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9521316 0.85 TDP1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9641293 0.84 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL7854717 0.84 TDP1 (0.50) TDP1ATMALDH1A1MAPTHPGD

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 4166/4885TDP1 1723/4885ATM 4468/4885

“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.