SCHEMBL22504456

SCHEMBL22504456

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTR2A P28223 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
PLCG1 P19174 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL2454828 0.88 HTR2A (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL22504535 0.82 DPP8 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL21580364 0.81 ALDH1A1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL19035167 0.81 ALDH1A1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9611933 0.78 ALDH1A1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9247606 0.78 ALDH1A1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL16090421 0.78 ALDH1A1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2531926 0.78 HTR2A (0.49) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL15478418 0.74 HTR2A (0.46) TDP1ALDH1A1MAPTHPGDHTR2A
SCHEMBL11932224 0.73 HTR2A (0.45) TDP1ATMALDH1A1MAPTHPGD

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 TDP1 2209/4885ATM 2071/4885ALDH1A1 1655/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 TDP1 2209/4885ATM 2071/4885ALDH1A1 1655/4885

“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.