SCHEMBL22504535

SCHEMBL22504535

O=C(NCC[C@H](O)C(=O)ON1C(=O)C[C@@H]2C=C[C@H](C2)C1=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
TGM2 P21980 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PLCG1 P19174 1/20 0.33
BMP1 P13497 1/20 0.32

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
SCHEMBL22504456 0.82 TDP1 (0.44) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL11932289 0.82 DPP8 (0.47) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL11927996 0.82 DPP8 (0.47) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL19034979 0.78 DPP8 (0.42) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL19034978 0.78 DPP8 (0.44) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL6913164 0.73 TGM2 (0.54) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL2454828 0.71 HTR2A (0.45) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL6943478 0.69 DPP8 (0.61) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL10500161 0.69 DPP8 (0.58) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL11043244 0.69 ALDH1A1 (0.45) DPP8ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117915-B2 Antibacterial aminoglycoside analogs Cipla USA, Inc. (US) 2021-09-14 US disclosed
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2020-10-08 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 (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-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 DPP8 277/4885DPP9 64/4885TDP1 2209/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 DPP8 277/4885DPP9 64/4885TDP1 2209/4885

“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.