SCHEMBL4772534

SCHEMBL4772534

COc1cc(CCCN2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KCNH2 Q12809 1/20 0.46
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
EBP Q15125 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MAPT P10636 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
SCHEMBL4763684 0.94 TGFBR1 (0.45) SMN1; SMN2KCNH2TGFBR1ACVR1KDM4E
SCHEMBL4763764 0.90 TGFBR1 (0.49) SMN1; SMN2TGFBR1ACVR1KDM4EALDH1A1
SCHEMBL4768736 0.89 MEN1 (0.42) SMN1; SMN2KCNH2TGFBR1ACVR1KDM4E
SCHEMBL4774671 0.88 TGFBR1 (0.41) SMN1; SMN2KCNH2TGFBR1ACVR1SIGMAR1
SCHEMBL4763891 0.86 KDM4E (0.53) TGFBR1ACVR1KDM4EALDH1A1TDP1
SCHEMBL4763699 0.85 TGFBR1 (0.51) TGFBR1ACVR1KDM4EALDH1A1TDP1
SCHEMBL4764246 0.84 BACE1 (0.51) TGFBR1ACVR1ALDH1A1SIGMAR1
SCHEMBL7161609 0.84 HCRTR1 (0.51) ALDH1A1
SCHEMBL7160532 0.84 KDM4E (0.51) TGFBR1ACVR1KDM4EALDH1A1TDP1
SCHEMBL4773743 0.84 TGFBR1 (0.53) TGFBR1ACVR1KDM4EALDH1A1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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 (1 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 SMN1; SMN2 2573/4885KCNH2 127/4885TGFBR1 3689/4885

“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.