SCHEMBL2908652

SCHEMBL2908652

COc1cc2nc(CN3CCN(Cc4nc5cc(OC)c(OC)c(OC)c5o4)CC3)oc2c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
HPGD P15428 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL2911395 0.96 KDM4E (0.46) TP53GAAKDM4EALDH1A1MEN1
SCHEMBL2907761 0.79 KDM4E (0.43) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL2905848 0.79 KDM4E (0.43) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2910611 0.71 MAPT (0.51) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2908611 0.70 KDM4E (0.40) TP53KDM4EALDH1A1MEN1KMT2A
SCHEMBL2903681 0.70 KDM4E (0.43) TP53GAAKDM4EALDH1A1MEN1
SCHEMBL2910847 0.69 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL2907911 0.69 MAPT (0.48) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2909778 0.68 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL2910348 0.68 KDM4E (0.45) GAAKDM4EALDH1A1MEN1KMT2A

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
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TP53 4751/4885GAA 4582/4885KDM4E 2052/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TP53 4751/4885GAA 4582/4885KDM4E 2052/4885

“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.