SCHEMBL23199263

SCHEMBL23199263

CC(=O)SC1CN(CC2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GRIN2B Q13224 4/20 0.42
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
OPRK1 P41145 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL195525 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL10639607 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL10338454 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHTTRAB9A
SCHEMBL9020004 0.81 CCR5 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL13713047 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL10639422 0.80 TPSAB1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL23557949 0.79 SIGMAR1 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL10817215 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL13712608 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL10636257 0.79 TPSAB1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E

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.