SCHEMBL2851022

SCHEMBL2851022

S=[C]c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
IDO1 P14902 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
MAPK10 P53779 1/20 0.48
CYP1A2 P05177 1/20 0.44
LRRK2 Q5S007 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
YTHDC1 Q96MU7 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
AURKA O14965 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL1290531 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL224732 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29733448 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL9951795 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL17887974 0.76 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL16303429 0.76 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7982776 0.75 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL17886019 0.72 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL329139 0.71 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL12269671 0.71 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4IDO1

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-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP KDM4E 4730/4885GAA 196/4885PDPK1 3333/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 KDM4E 1370/4885GAA 2117/4885PDPK1 755/4885

“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.