SCHEMBL23199288

SCHEMBL23199288

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(N2CC[C@@H](S)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.43
ACHE P22303 1/20 0.43
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
TPSAB1 Q15661 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
SCHEMBL28556696 0.94 CYP1A2 (0.52) CYP1A2CYP2D6KDM4ESMN1; SMN2ALDH1A1
SCHEMBL562016 0.89 ALDH1A1 (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6400164 0.89 ALDH1A1 (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9854866 0.89 ALDH1A1 (0.46) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6401181 0.89 SMN1; SMN2 (0.50) CYP1A2CYP2D6KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6405203 0.82 DPP8 (0.47) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6398767 0.81 TDP1 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL30381376 0.81 DPP8 (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL5724018 0.81 SMN1; SMN2 (0.51) CYP1A2CYP2D6KDM4ESMN1; SMN2ALDH1A1
SCHEMBL23557949 0.81 SIGMAR1 (0.43) CYP1A2CYP2D6KDM4ESMN1; SMN2ALDH1A1

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 3 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

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 CYP1A2 2425/4885CYP2D6 798/4885KDM4E 1370/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI CYP1A2 2425/4885CYP2D6 798/4885KDM4E 1370/4885

“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.