SCHEMBL2908548

SCHEMBL2908548

COc1cc2c(cc(C(=O)N3CCN(C(=O)c4cc5c(OC)c(OC)c(OC)cc5n4C)CC3)n2C)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2909242 0.96 POLB (0.48) POLBLMNATSHRALDH1A1CYP1A2
SCHEMBL27545734 0.91 PKM (0.51) POLBLMNATSHRALDH1A1CYP1A2
SCHEMBL2905589 0.82 ALDH1A1 (0.60) LMNAALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL2902799 0.81 L3MBTL1 (0.49) POLBALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2909853 0.77 ALDH1A1 (0.50) POLBLMNAALDH1A1CYP1A2KDM4E
SCHEMBL10334481 0.71 POLB (0.84) POLBLMNAALDH1A1CYP1A2KDM4E
SCHEMBL19343277 0.69 L3MBTL1 (0.46) POLBALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2902358 0.69 KMT2A (0.73) POLBKMT2AMEN1DRD2DRD3
SCHEMBL28745917 0.69 CYP19A1 (0.42) TSHRALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL2909623 0.69 CYP19A1 (0.46) LMNATSHRALDH1A1CYP1A2KDM4E

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 POLB 2172/4885LMNA 2954/4885TSHR 1963/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 POLB 2172/4885LMNA 2954/4885TSHR 1963/4885

“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.