SCHEMBL4770714

SCHEMBL4770714

COc1cc(-c2cc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ F10 P00742 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 2/20 0.50
▸ WNK1 Q9H4A3 1/20 0.50
▸ GPR183 P32249 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ LSS P48449 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL4769312 0.92 POLB (0.64) POLBKDM4EF10ALDH1A1MEN1
SCHEMBL4771108 0.91 POLB (0.66) POLBKDM4EF10ALDH1A1MEN1
SCHEMBL4766504 0.91 KDM4E (0.62) POLBKDM4EF10ALDH1A1MEN1
SCHEMBL4769091 0.90 POLB (0.72) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL4772944 0.87 POLB (0.54) POLBKDM4EF10ALDH1A1MEN1
SCHEMBL4766164 0.87 WNK1 (0.61) POLBKDM4EF10ALDH1A1MEN1
Fumaric Acid SCHEMBL4774068 0.87 MEN1 (0.57) POLBKDM4EF10ALDH1A1MEN1
Maleic Acid SCHEMBL4774061 0.87 MEN1 (0.57) POLBKDM4EF10ALDH1A1MEN1
SCHEMBL4769279 0.86 POLB (0.57) POLBKDM4EF10ALDH1A1MEN1
SCHEMBL7122957 0.86 KDM4E (0.63) POLBKDM4EF10ALDH1A1MEN1

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 POLB 901/4885KDM4E 3292/4885F10 1260/4885

“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.

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