SCHEMBL5723978

SCHEMBL5723978

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
OPRK1 P41145 1/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GBA1 P04062 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5723982 1.00 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL4476414 1.00 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
Formic Acid SCHEMBL28194380 0.95 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL8758764 0.93 DPP8 (0.48) ALDH1A1LMNASMN1; SMN2MAPTOPRK1
SCHEMBL5724018 0.92 SMN1; SMN2 (0.51) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5723654 0.90 TDP1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6104418 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6102402 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6104410 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6102412 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A

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-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
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 ALDH1A1 637/4885LMNA 3159/4885SMN1; SMN2 1508/4885

“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.