SCHEMBL2908846

SCHEMBL2908846

COc1cc2c(nc(CCl)n2C)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE5A O76074 2/20 0.36
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
BRD4 O60885 2/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 4/20 0.34
HSP90AB1 P08238 4/20 0.34
ERBB2 P04626 1/20 0.34
PDE1B Q01064 1/20 0.33
MAOA P21397 1/20 0.33
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL2907128 0.86 RHEB (0.39) KDM4EALDH1A1HPGDHSD17B10PDE5A
SCHEMBL2910405 0.82 GRM2 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2905775 0.81 RAB9A (0.34) KDM4EALDH1A1HPGDHSD17B10PDE5A
SCHEMBL2903488 0.79 KDM4E (0.45) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL2908068 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10CYP19A1
SCHEMBL1161432 0.75 RAB9A (0.50) KDM4EALDH1A1NQO2RAB9AHSP90AB1
SCHEMBL31159840 0.74 KDM4E (0.41) KDM4EALDH1A1TSHR
SCHEMBL102290 0.68 PDE10A (0.34) RAB9ASMN1; SMN2PDE10A
SCHEMBL31470158 0.67 CDK1 (0.41) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL613041 0.67 CDK1 (0.41) KDM4EALDH1A1HPGDHSD17B10RAB9A

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 2052/4885ALDH1A1 468/4885HPGD 2236/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885ALDH1A1 468/4885HPGD 2236/4885

“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.