SCHEMBL31095809

SCHEMBL31095809

CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 2/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL31095730 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHTTHTR2A
SCHEMBL26386366 0.75 EPHX1 (0.48) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL10639422 0.75 TPSAB1 (0.50) ALDH1A1KMT2AGBA1HTTRAB9A
Trifluoroacetic Acid SCHEMBL8095167 0.75 SLC6A2 (0.41) ALDH1A1HTR2ACCR5SIGMAR1SMN1; SMN2
SCHEMBL15618793 0.74 ALDH1A1 (0.55) ALDH1A1HTTHTR2ARAB9ASMN1; SMN2
SCHEMBL8095172 0.74 CCR5 (0.42) CCR5
SCHEMBL1058888 0.74 SIGMAR1 (0.60) ALDH1A1KMT2ARAB9ACCR5SIGMAR1
SCHEMBL991790 0.74 ALDH1A1 (0.52) ALDH1A1HTTHTR2ARAB9ASMN1; SMN2
SCHEMBL13543078 0.74 CCR5 (0.46) HTR2ACCR5
SCHEMBL13684200 0.73 ALDH1A1 (0.54) ALDH1A1HTTHTR2ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084445-B2 Broad-spectrum carbapenems VenatoRx Pharmaceuticals, Inc. (US) 2024-09-10 US 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-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI ALDH1A1 3603/4885MEN1 3883/4885KMT2A 2171/4885

“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.