SCHEMBL2907128

SCHEMBL2907128

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
LCK P06239 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE5A O76074 2/20 0.35
CYP19A1 P11511 1/20 0.35
NQO2 P16083 1/20 0.35
MAPT P10636 2/20 0.34
BRD4 O60885 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2908846 0.86 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2910405 0.81 GRM2 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL2903488 0.78 KDM4E (0.45) KDM4EALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL2905775 0.77 RAB9A (0.34) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2902244 0.76 KDM4E (0.44) RHEBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24402025 0.70 RHEB (0.39) RHEB
SCHEMBL2902810 0.69 RHEB (0.40) RHEBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30885833 0.67 PDE10A (0.34) RHEBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11274248 0.65 RHEB (0.41) RHEBHSD17B10TSHRSMN1; SMN2LMNA
SCHEMBL2903404 0.65 RHEB (0.43) RHEBPDE5A

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 RHEB 4081/4885KDM4E 2052/4885ALDH1A1 468/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 RHEB 4081/4885KDM4E 2052/4885ALDH1A1 468/4885

“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.