SCHEMBL2911035

SCHEMBL2911035

COc1cc2[nH]c(CN3CCCN(Cc4cc5c(OC)c(OC)c(OC)cc5[nH]4)CC3)cc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 4/20 0.42
KMT2A Q03164 9/20 0.41
MEN1 O00255 6/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC29A1 Q99808 2/20 0.38
ABCC4 O15439 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2910618 0.96 KMT2A (0.43) KDM4EPOLBKMT2AMEN1RAB9A
SCHEMBL2902310 0.78 KDM4E (0.47) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2907909 0.74 KDM4E (0.45) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2908556 0.73 KDM4E (0.48) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL29744160 0.70 KMT2A (0.48) KDM4EPOLBKMT2AMEN1RAB9A
SCHEMBL2910450 0.70 KDM4E (0.54) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2905210 0.70 KDM4E (0.54) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2910549 0.70 KDM4E (0.47) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2906735 0.70 KDM4E (0.47) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2907911 0.69 MAPT (0.48) KDM4EPOLBKMT2AMEN1ALDH1A1

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 2052/4885POLB 2172/4885KMT2A 916/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885POLB 2172/4885KMT2A 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.