SCHEMBL2910348

SCHEMBL2910348

COc1cc2nc(CN3CCCN(Cc4nc5cc(OC)c(OC)c(OC)c5s4)CC3)sc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
SLC29A1 Q99808 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ABCC4 O15439 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN1A P35498 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
SCHEMBL2903681 0.96 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2903281 0.85 DRD3 (0.46) KDM4EMEN1KMT2ASLC29A1SMN1; SMN2
SCHEMBL2903341 0.81 DRD2 (0.48) MEN1KMT2ASLC29A1SMN1; SMN2LMNA
SCHEMBL2905107 0.76 CA9 (0.35) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2905414 0.76 PDE4A (0.36) KDM4EMEN1KMT2ACYP3A4
SCHEMBL27518837 0.74 CA9 (0.33) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2907911 0.73 MAPT (0.48) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL2911395 0.73 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2902383 0.72 TNKS2 (0.37) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2902844 0.72 DRD2 (0.33) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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.