SCHEMBL23199264

SCHEMBL23199264

O=CCN1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MGLL Q99685 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HRH2 P25021 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KCNJ1 P48048 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AKR1C3 P42330 1/20 0.44

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
SCHEMBL6397323 0.84 KCNJ1 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTMGLL
SCHEMBL9519331 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL8587397 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6399274 0.83 KCNJ1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTMGLL
SCHEMBL28560782 0.81 TPSAB1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTRECQL
Hydrochloric Acid SCHEMBL27949581 0.81 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10633380 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTRECQL
SCHEMBL6771408 0.80 KMT2A (0.55) SMN1; SMN2ALDH1A1LMNAMAPTMGLL
SCHEMBL9363980 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTMGLL
SCHEMBL3039451 0.80 KCNJ1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTRECQL

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
US-12084445-B2 Broad-spectrum carbapenems VenatoRx Pharmaceuticals, Inc. (US) 2024-09-10 — — US disclosed
US-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 — — US disclosed
EP-3802538-A1 BROAD-SPECTRUM CARBAPENEMS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 — — EP disclosed
CN-112513043-A Broad spectrum carbapenems 维纳拓尔斯制药公司 2021-03-16 — — CN 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-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS MGAM, ALPI, SI SMN1; SMN2 2268/4885ALDH1A1 3603/4885LMNA 1640/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI SMN1; SMN2 2268/4885ALDH1A1 3603/4885LMNA 1640/4885

“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.

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