SCHEMBL6772807

SCHEMBL6772807

O=C(NCCSc1ncn2ccsc12)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.38
TGM2 P21980 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK8 P45983 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6623459 0.95 DPP8 (0.44) DPP8DPP9L3MBTL1RAB9ATGM2
SCHEMBL6621231 0.89 L3MBTL1 (0.35) DPP8DPP9L3MBTL1RAB9ATGM2
SCHEMBL6622048 0.86 L3MBTL1 (0.37) DPP8DPP9L3MBTL1RAB9ATGM2
SCHEMBL6893524 0.83 DPP8 (0.40) DPP8DPP9L3MBTL1RAB9ATGM2
SCHEMBL6887473 0.81 RAB9A (0.41) DPP8DPP9L3MBTL1RAB9ATGM2
SCHEMBL6624731 0.78 L3MBTL1 (0.34) L3MBTL1RAB9AMAPTALDH1A1MEN1
SCHEMBL6887696 0.78 DPP8 (0.38) DPP8DPP9L3MBTL1RAB9ATGM2
SCHEMBL6624714 0.78 DPP8 (0.38) DPP8DPP9L3MBTL1TGM2HDAC1
SCHEMBL6623462 0.75 GRIN2B (0.38) L3MBTL1RAB9AMAPTALDH1A1KMT2A
SCHEMBL6623421 0.75 DPP8 (0.39) DPP8DPP9L3MBTL1RAB9ATGM2

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 DPP8 173/4885DPP9 312/4885L3MBTL1 1186/4885

“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.