SCHEMBL21649938

SCHEMBL21649938

O=S(=O)(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 6/20 0.62
▸ NPC1 O15118 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ PAX8 Q06710 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KLF5 Q13887 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL21633888 0.84 KMT2A (0.60) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL21633889 0.84 KMT2A (0.60) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL18963232 0.81 RRM1 (0.81) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL21649936 0.79 RRM1 (0.66) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL16211059 0.77 KMT2A (0.66) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL14571422 0.77 KMT2A (0.66) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL16211060 0.77 KMT2A (0.66) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL21649940 0.77 RRM1 (0.67) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL18963309 0.77 RRM1 (0.78) RRM1NPC1KDM4EHTTKMT2A
SCHEMBL18963253 0.77 RRM1 (1.00) RRM1NPC1KDM4EHTTKMT2A

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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — US disclosed
WO-2020023802-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE (US) 2020-01-30 — — 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 (1 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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARN RRM1 1674/4885NPC1 1065/4885KDM4E 781/4885

“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.

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