SCHEMBL21787696

SCHEMBL21787696

COc1cc2c(cc1[N+](=O)[O-])cc(O)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DAO P14920 1/20 0.43
ALDH1A1 P00352 4/20 0.40
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
CHEK1 O14757 1/20 0.38
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TPMT P51580 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
SCHEMBL22421736 0.85 TDP1 (0.50) TDP1LMNAKDM4EMAPTHTT
SCHEMBL20267610 0.81 LMNA (0.49) LMNAKDM4EMAPTHTTNPSR1
SCHEMBL21787625 0.81 KDM4E (0.49) TDP1LMNAKDM4EMAPTHTT
SCHEMBL21787618 0.77 BCL6 (0.42) TDP1LMNAKDM4EMAPTHTT
SCHEMBL28991080 0.75 TDP1 (0.66) TDP1LMNAKDM4EMAPTHTT
SCHEMBL9395825 0.73 TDP1 (0.49) TDP1LMNAKDM4EMAPTHTT
SCHEMBL21774716 0.73 ERN1 (0.45) TDP1LMNAMAPTHTTDAO
SCHEMBL20284504 0.71 CYP19A1 (0.56) LMNAKDM4EMAPTHTTNPSR1
SCHEMBL4103613 0.71 ALDH1A1 (0.48) TDP1LMNAKDM4EMAPTHTT
SCHEMBL2678872 0.71 ALDH1A1 (0.51) TDP1LMNAKDM4EMAPTHTT

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
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 US disclosed
EP-3555063-B1 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 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-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BCL6, BCL6B, BCOR TDP1 2887/4885LMNA 1492/4885KDM4E 205/4885
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BCL6, BCL6B, BCOR TDP1 3322/4885LMNA 1370/4885KDM4E 195/4885

“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.