SCHEMBL2909778

SCHEMBL2909778

COc1cc2nc(CN3CCCN(Cc4ccc5c(OC)c(OC)c(OC)cc5n4)CC3)ccc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
PSMB5 P28074 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
NTSR1 P30989 2/20 0.38
SLC29A1 Q99808 1/20 0.38
CCR4 P51679 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 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
SCHEMBL2908611 0.96 KDM4E (0.40) KDM4EMEN1KMT2ABCHEACHE
SCHEMBL2911110 0.81 KDM4E (0.46) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7837160 0.78 PDE3A (0.47) KDM4EPOLBPSMB5ALDH1A1PDE3B
SCHEMBL2907694 0.76 MAOA (0.43) KDM4EPOLBPSMB5PDE3BPDE3A
SCHEMBL2905838 0.76 MAOA (0.43) KDM4EPOLBPSMB5ALDH1A1TDP1
SCHEMBL2905210 0.76 KDM4E (0.54) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL2905651 0.76 USP2 (0.41) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2910847 0.74 KDM4E (0.40) KDM4EMEN1KMT2APSMB5ACHE
SCHEMBL2910450 0.74 KDM4E (0.54) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL13792058 0.73 MAOA (0.40) KDM4EPSMB5ALDH1A1PDE3BPDE3A

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 KDM4E 2052/4885MEN1 1989/4885KMT2A 916/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885MEN1 1989/4885KMT2A 916/4885

“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.