SCHEMBL22126563

SCHEMBL22126563

O=Cc1cn(C(=O)O)c2ccc(Cl)c(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15901985 0.81 ALDH1A1 (0.36) NOTUMTDP1ALDH1A1POLB
SCHEMBL30682543 0.79 HTR6 (0.39) NOTUMPOLBL3MBTL1
SCHEMBL22154471 0.79 HTR6 (0.39) NOTUMPOLBL3MBTL1
SCHEMBL22126555 0.76 AKR1C3 (0.37) NOTUM
SCHEMBL20503064 0.72 CYP2A6 (0.41) TDP1ALDH1A1POLBAPEX1CTDSP1
SCHEMBL249819 0.72 ALDH1A1 (0.33) TDP1ALDH1A1POLBAPEX1CTDSP1
SCHEMBL1229812 0.72 ERN1 (0.42) ALDH1A1
SCHEMBL15901961 0.72 ERN1 (0.42) TDP1ALDH1A1POLB
SCHEMBL28489297 0.71 PTGS2 (0.43) ALDH1A1L3MBTL1
SCHEMBL28507087 0.71 PTGS2 (0.46) ALDH1A1POLBL3MBTL1

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
EP-3596089-B1 ANTIBACTERIAL COMPOUNDS UNIV NOTTINGHAM (GB) 2023-12-06 EP disclosed
US-11192888-B2 Antibacterial compounds THE UNIVERSITY OF NOTTINGHAM (GB) 2021-12-07 US disclosed
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2020-06-25 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-11192888-B2 Antibacterial compounds CFTR, CLPP, MRPL21 NOTUM 2477/4885TDP1 4659/4885NSD2 4079/4885
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS CFTR, CLPP, MRPL21 NOTUM 2477/4885TDP1 4659/4885NSD2 4079/4885

“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.