SCHEMBL6622047

SCHEMBL6622047

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(CCCSc1ncn2ccsc12)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KLF5 Q13887 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL6624731 0.95 L3MBTL1 (0.34) RAB9ANPC1SMN1; SMN2KLF5L3MBTL1
SCHEMBL6623188 0.83 L3MBTL1 (0.32) RAB9ANPC1SMN1; SMN2KLF5L3MBTL1
SCHEMBL6622048 0.79 L3MBTL1 (0.37) RAB9ASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL6623459 0.78 DPP8 (0.44) RAB9ASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL9878438 0.77 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KLF5MEN1
SCHEMBL6772807 0.77 DPP8 (0.42) RAB9ASMN1; SMN2L3MBTL1MEN1ALDH1A1
SCHEMBL6625097 0.76
SCHEMBL6621231 0.72 L3MBTL1 (0.35) RAB9AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL6623462 0.68 GRIN2B (0.38) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3583245 0.67 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1

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 RAB9A 2075/4885NPC1 2039/4885SMN1; SMN2 3197/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 RAB9A 1172/4885NPC1 2641/4885SMN1; SMN2 2877/4885

“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.