SCHEMBL5201337

SCHEMBL5201337

NC(=O)c1c[nH]c(=O)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
ALDH1A1 P00352 4/20 0.65
ATM Q13315 2/20 0.65
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
PARP1 P09874 4/20 0.48
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 1/20 0.44
PBRM1 Q86U86 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 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
SCHEMBL31609554 1.00 KDM4E (0.72) KDM4EALDH1A1ATMPIM1PIM3
SCHEMBL2676355 0.84 KDM4E (1.00) KDM4EALDH1A1ATMPARP1GPR84
SCHEMBL10372680 0.81 KDM4E (0.72) KDM4EALDH1A1ATMPARP1KMT2A
SCHEMBL2922430 0.81 KDM4E (0.72) KDM4EALDH1A1ATMPARP1KMT2A
Lithium Ion SCHEMBL23216369 0.79 KDM4E (0.70) KDM4EALDH1A1ATMPARP1KMT2A
Lithium Ion SCHEMBL29745661 0.79 KDM4E (0.70) KDM4EALDH1A1ATMPARP1KMT2A
SCHEMBL29544426 0.78 ALDH1A1 (1.00) ALDH1A1ATMPIM1PIM3KMT2A
SCHEMBL117198 0.78 ALDH1A1 (1.00) ALDH1A1ATMPIM1PIM3KMT2A
SCHEMBL27785298 0.78 ALDH1A1 (1.00) ALDH1A1ATMPIM1PIM3KMT2A
SCHEMBL2521184 0.78 PARP1 (0.58) KDM4EALDH1A1ATMPARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO claimed
EP-3723753-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2020-10-21 EP disclosed
WO-2019118932-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2019-06-20 WO disclosed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885ALDH1A1 2549/4885ATM 4398/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885ALDH1A1 2549/4885ATM 4398/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885ALDH1A1 2482/4885ATM 4604/4885

“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.