SCHEMBL17845544

SCHEMBL17845544

CN(C(=O)O)c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
HCAR3 P49019 4/20 0.48
KMT2A Q03164 2/20 0.46
VCAM1 P19320 7/20 0.44
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
GLA P06280 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL17845547 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHTTHCAR3KMT2A
SCHEMBL6517136 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHTTHCAR3KMT2A
SCHEMBL31122066 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHCAR3KMT2A
SCHEMBL17863601 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHCAR3KMT2A
SCHEMBL3487466 0.81 HCAR3 (0.51) ALDH1A1KDM4EHCAR3VCAM1GLA
SCHEMBL3487462 0.81 HCAR3 (0.51) ALDH1A1KDM4EHCAR3VCAM1GLA
SCHEMBL601392 0.73 ATM (0.46) ALDH1A1KDM4EHCAR3KMT2APOLB
SCHEMBL601391 0.73 ATM (0.46) ALDH1A1KDM4EHCAR3KMT2APOLB
SCHEMBL3813276 0.72 VCAM1 (0.50) ALDH1A1KDM4EHTTKMT2AVCAM1
Methyl Alcohol SCHEMBL29280927 0.72 VCAM1 (0.65) ALDH1A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380539-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-12-09 US disclosed
EP-3907224-A1 PARG INHIBITORY COMPOUNDS Cancer Research Technology Limited (GB) 2021-11-10 EP disclosed
EP-3233845-B1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2021-07-21 EP disclosed
US-10995073-B2 PARG inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-04 US disclosed
US-20200165208-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-28 US disclosed
US-20180194738-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-07-12 US disclosed
EP-3233845-A1 PARG INHIBITORY COMPOUNDS Cancer Research Technology Limited (GB) 2017-10-25 EP disclosed
WO-2016097749-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-23 WO 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 (4 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-20210380539-A1 PARG INHIBITORY COMPOUNDS PARP11, PARG, PARP16 ALDH1A1 1411/4885KDM4E 1561/4885HTT 2720/4885
US-20180194738-A1 PARG INHIBITORY COMPOUNDS PARG, PARP11, PARP16 ALDH1A1 1483/4885KDM4E 908/4885HTT 2701/4885
US-10995073-B2 PARG inhibitory compounds PARG, PARP11, PARP16 ALDH1A1 1483/4885KDM4E 908/4885HTT 2701/4885
US-20200165208-A1 PARG INHIBITORY COMPOUNDS PARG, PARP11, PARP16 ALDH1A1 1483/4885KDM4E 908/4885HTT 2701/4885

“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.