SCHEMBL2909674

SCHEMBL2909674

COc1cc2c(cc(CCCN3CCN(CCCc4cc5c(OC)c(OC)c(OC)cc5n4C)CC3)n2C)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.43
SIGMAR1 Q99720 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNH2 Q12809 2/20 0.41
ABCC4 O15439 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN1A P35498 1/20 0.41
THPO P40225 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL2910647 0.96 SLC29A1 (0.46) SLC29A1SIGMAR1SMN1; SMN2LMNAMEN1
SCHEMBL2907404 0.85 KDM4E (0.42) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2908934 0.83 TNKS2 (0.38) SMN1; SMN2CYP3A4TSHRHTR2AHTR2B
SCHEMBL2910549 0.81 KDM4E (0.47) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL27545818 0.80 TNFRSF1A (0.38) HTR2AHTR2BHSD17B10
SCHEMBL2902810 0.77 RHEB (0.40) SMN1; SMN2CYP3A4HSD17B10
SCHEMBL2910499 0.72 SIGMAR1 (0.53) SIGMAR1EBPTMEM97
SCHEMBL14375340 0.70 KDM4E (0.60) SLC29A1SIGMAR1SMN1; SMN2LMNAMEN1
SCHEMBL2908062 0.69 SIGMAR1 (0.50) SLC29A1SIGMAR1SMN1; SMN2LMNAMEN1
SCHEMBL2910440 0.69 SIGMAR1 (0.50) SLC29A1SIGMAR1SMN1; SMN2LMNAMEN1

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 5 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
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 SLC29A1 1585/4885SIGMAR1 1444/4885SMN1; SMN2 2595/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 SLC29A1 1585/4885SIGMAR1 1444/4885SMN1; SMN2 2595/4885

“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.