SCHEMBL2907404

SCHEMBL2907404

COc1cc2c(cc(CN3CCN(Cc4cc5c(OC)c(OC)c(OC)cc5n4C)CC3)n2C)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC29A1 Q99808 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 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
SCHEMBL2910549 0.96 KDM4E (0.47) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL2909674 0.85 SLC29A1 (0.43) MEN1KMT2ASMN1; SMN2SLC29A1CYP2C9
SCHEMBL2910647 0.81 SLC29A1 (0.46) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2902810 0.80 RHEB (0.40) KDM4EALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL27545818 0.78 TNFRSF1A (0.38) KDM4EALDH1A1HSD17B10CYP19A1NQO2
SCHEMBL2902815 0.76 SLC29A1 (0.41) KDM4EMEN1KMT2AALDH1A1SLC29A1
SCHEMBL2908934 0.75 TNKS2 (0.38) KDM4EALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL2910405 0.71 GRM2 (0.43) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL28745917 0.71 CYP19A1 (0.42) KDM4EALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL2907730 0.71 KDM4E (0.50) KDM4EMEN1KMT2ATDP1ALDH1A1

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.