SCHEMBL5233372

SCHEMBL5233372

O=C(c1ncn2ccsc12)[C@@H]1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CTRB1 P17538 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5233019 0.86 POLB (0.36) MAPTRAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL5230213 0.82 PREP (0.37) PREPTSHRMAPTRAB9ACYP3A4
SCHEMBL5229323 0.82 ALDH1A1 (0.32) MAPTRAB9ACYP3A4L3MBTL1KDM4E
SCHEMBL6754271 0.81 ALDH1A1 (0.33) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL5236422 0.81 ALDH1A1 (0.33) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL5231403 0.80 PRCP (0.37) PREPTSHRMAPTRAB9ACYP3A4
SCHEMBL6216080 0.76 PREP (0.54) PREPTSHRMAPTRAB9ACYP3A4
SCHEMBL8110544 0.76 PREP (0.54) PREPTSHRMAPTRAB9ACYP3A4
SCHEMBL6623462 0.76 GRIN2B (0.38) MAPTRAB9ALMNAL3MBTL1KDM4E
SCHEMBL6887473 0.75 RAB9A (0.41) MAPTRAB9AL3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
US-6908913-B2 Carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2005-06-21 US disclosed
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 US disclosed
EP-1336612-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2003-08-20 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-20040038967-A1 Novel carbapenem derivatives DHPS, HAMP, MCRS1 PREP 17/4885TSHR 4476/4885MAPT 4499/4885

“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.