SCHEMBL5724159

SCHEMBL5724159

O=C(OCc1ccc([N+](=O)[O-])cc1)c1csc(N2CCC(O)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAX8 Q06710 1/20 0.38

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
SCHEMBL5724165 0.90 RAB9A (0.49) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL5724355 0.88 RAB9A (0.45) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL5724280 0.87 RAB9A (0.46) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL5724047 0.85 RAB9A (0.44) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL5723648 0.83 RAB9A (0.47) RAB9AGAAKMT2ANPC1POLB
SCHEMBL5723860 0.81 RAB9A (0.47) RAB9AGAAKMT2ANPC1POLB
SCHEMBL5724020 0.78 MAPT (0.42) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL5723882 0.77 OGA (0.52) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL5724526 0.76 RAB9A (0.42) RAB9AGAAKMT2AL3MBTL1MAPT
SCHEMBL5724248 0.76 ENPP2 (0.45) KMT2AMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1289498-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2006-12-13 CN disclosed
EP-1340757-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2006-10-11 EP disclosed
US-7001897-B2 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2006-02-21 US disclosed
CN-1486317-A 1-methylcarbapenem derivatives ������������ʽ���� 2004-03-31 CN disclosed
US-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD RAB9A 3028/4885GAA 2649/4885KMT2A 2404/4885

“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.