SCHEMBL12337100

SCHEMBL12337100

CCc1nc2ccc(C(OS(C)(=O)=O)c3ccccc3)cc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
MAPT P10636 3/20 0.41
HSD17B10 Q99714 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHEK2 O96017 1/20 0.37
LMNA P02545 1/20 0.37
MLKL Q8NB16 2/20 0.37
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 2/20 0.36
MEN1 O00255 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
SCHEMBL12336827 0.79 KDM4E (0.58) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL25093492 0.76 KDM4E (0.59) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL12336829 0.74 KDM4E (0.51) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL30888876 0.74 KDM4E (0.56) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL12311751 0.73 KDM4E (0.56) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL12337078 0.72 KDM4E (0.49) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL9662976 0.72 ALDH1A1 (0.38) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL12337077 0.72 CYP19A1 (0.49) KDM4E
SCHEMBL12336821 0.72 CYP19A1 (0.52) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL9191663 0.70 OGA (0.38) KDM4EMAPTHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524714-B2 7-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-09-03 US disclosed
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-09-22 US disclosed
US-7928104-B2 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-19 US disclosed
US-7928104-B2 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-19 US disclosed
US-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 US disclosed
US-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 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-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction PARP1, PARP2, PARP3 KDM4E 186/4885MAPT 2479/4885HSD17B10 2630/4885
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 KDM4E 770/4885MAPT 3352/4885HSD17B10 2069/4885

“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.