SCHEMBL2909995

SCHEMBL2909995

COc1cc2nc(CCl)[nH]c2c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
AMY1A P0DUB6 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE5A O76074 1/20 0.36
GAA P10253 1/20 0.36
PTGS2 P35354 1/20 0.34
MAOA P21397 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
SCHEMBL2903412 0.84 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDPDE3B
SCHEMBL2910611 0.79 MAPT (0.51) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2909994 0.77 PDE5A (0.40) KDM4EALDH1A1LMNAHPGDPDE3B
SCHEMBL6368180 0.77 NTRK1 (0.50) KDM4EALDH1A1PDE3BPDE3ANPC1
SCHEMBL2907911 0.76 MAPT (0.48) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL30096716 0.74 RAB9A (0.46) KDM4EALDH1A1HPGDPDE3BPDE3A
SCHEMBL2722306 0.72 KDM4E (0.67) KDM4EALDH1A1LMNAPDE3BPDE3A
SCHEMBL29900596 0.72 KDM4E (0.67) KDM4EALDH1A1LMNAPDE3BPDE3A
SCHEMBL5062073 0.70 PDE4A (0.42) KDM4EALDH1A1NQO2MEN1PKM
SCHEMBL25308410 0.69 PDE5A (0.46) KDM4EALDH1A1LMNAHPGDPDE3B

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 468/4885LMNA 2954/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885ALDH1A1 468/4885LMNA 2954/4885

“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.