SCHEMBL2816392

SCHEMBL2816392

COc1cc(NC(=O)Nc2[nH]c(COc3ccc(CC(=O)O)cc3)nc2C(N)=O)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PABPC1 P11940 1/20 0.41
ZAP70 P43403 1/20 0.41
KARS1 Q15046 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NTRK1 P04629 3/20 0.39
NTRK2 Q16620 2/20 0.39
PPARD Q03181 2/20 0.39
VDR P11473 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL2812294 0.88 KDM4E (0.48) KDM4EPOLBMEN1KMT2APABPC1
SCHEMBL3989813 0.86 POLB (0.45) KDM4EPOLBMEN1KMT2ANTRK1
SCHEMBL2816636 0.86 KDM4E (0.46) KDM4EPOLBMEN1KMT2AGBA1
SCHEMBL2817001 0.85 KDM4E (0.46) KDM4EPOLBMEN1KMT2APPARD
SCHEMBL2815448 0.84 PPARD (0.46) KDM4EPOLBPPARD
SCHEMBL2819406 0.82 L3MBTL1 (0.42) KDM4EPOLBMEN1KMT2AL3MBTL1
SCHEMBL2816222 0.81 CDK8 (0.47) KDM4EPOLBNTRK1
SCHEMBL2816973 0.81 ALOX5 (0.41) KDM4EPOLBMAPTALDH1A1
SCHEMBL3998867 0.79 PLA2G4B (0.42) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3992395 0.79 PPARD (0.38) KDM4EPOLBMEN1KMT2APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed

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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 KDM4E 506/4885POLB 2686/4885MEN1 171/4885

“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.