SCHEMBL2903150

SCHEMBL2903150

COc1cc2oc(C(=O)N3CCCN(C(=O)c4oc5cc(OC)c(OC)c(OC)c5c4C)CC3)c(C)c2c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
NPC1 O15118 3/20 0.45
MKNK2 Q9HBH9 1/20 0.44
CASP6 P55212 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL2906193 0.96 LMNA (0.55) LMNAMAPTHTTMEN1KMT2A
SCHEMBL2903081 0.79 EDNRA (0.60) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL2909528 0.74 L3MBTL1 (0.59) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL30665908 0.71 CASP6 (0.62) LMNAMAPTHTTMEN1KMT2A
SCHEMBL26654647 0.71 CASP6 (0.62) LMNAMAPTHTTMEN1KMT2A
SCHEMBL11741763 0.71 EDNRA (0.60) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL2903269 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRPPARG
SCHEMBL11745240 0.68 EDNRA (0.56) MAPTALDH1A1TSHRPPARGNCOA2
SCHEMBL2908855 0.68 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRPPARG
SCHEMBL26654397 0.68 NPC1 (0.70) LMNAMAPTHTTMEN1KMT2A

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 LMNA 2954/4885MAPT 4342/4885HTT 3478/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 LMNA 2954/4885MAPT 4342/4885HTT 3478/4885

“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.