SCHEMBL2908433

SCHEMBL2908433

CCOC(=O)/C=C/c1nc2cc(OC)c(OC)c(OC)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
FDPS P14324 1/20 0.44
ESR1 P03372 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
SLC10A2 Q12908 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 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
SCHEMBL2908436 1.00 MAOB (0.45) MAOBFDPSESR1GABRA1GABRB2
SCHEMBL2908422 0.78 SLC10A2 (0.46) KDM4EMAPTSLC10A2CYP1A2CYP3A4
SCHEMBL2908442 0.76 KDM4E (0.43) KDM4EMAPTALDH1A1GAALMNA
SCHEMBL2902306 0.74 ALDH1A1 (0.44) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL22074431 0.74 SMN1; SMN2 (0.51) ESR1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL8772838 0.74 MAOB (0.68) MAOBFDPSKDM4EMAPTALDH1A1
SCHEMBL8772845 0.74 MAOB (0.68) MAOBFDPSKDM4EMAPTALDH1A1
SCHEMBL2766904 0.72 HDAC3 (0.45) MAOBFDPSESR1KDM4EMAPT
SCHEMBL2766900 0.72 HDAC3 (0.45) MAOBFDPSESR1KDM4EMAPT
SCHEMBL1884884 0.71 ABCG2 (0.62) MAOBFDPSCYP1A2CYP3A4CYP2D6

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 MAOB 1696/4885FDPS 4575/4885ESR1 1697/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 MAOB 1696/4885FDPS 4575/4885ESR1 1697/4885

“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.