SCHEMBL4772944

SCHEMBL4772944

COc1cc(-c2cc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GALR3 O60755 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ F10 P00742 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ WNK1 Q9H4A3 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ LSS P48449 1/20 0.45

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 0.89 POLB (0.64) POLBKDM4EF10ALDH1A1KMT2A
SCHEMBL4770216 0.89 HTT (0.51) POLBKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL4771108 0.88 POLB (0.66) POLBKDM4EF10ALDH1A1KMT2A
SCHEMBL4766504 0.88 KDM4E (0.62) POLBKDM4EF10ALDH1A1KMT2A
SCHEMBL4770714 0.87 POLB (0.57) POLBKDM4EF10ALDH1A1KMT2A
SCHEMBL4769091 0.86 POLB (0.72) POLBKDM4EALDH1A1KMT2AHTT
SCHEMBL4766164 0.84 WNK1 (0.61) POLBKDM4EF10ALDH1A1KMT2A
Fumaric Acid SCHEMBL4774068 0.83 MEN1 (0.57) POLBKDM4ENPC1F10ALDH1A1
Maleic Acid SCHEMBL4774061 0.83 MEN1 (0.57) POLBKDM4ENPC1F10ALDH1A1
SCHEMBL4769279 0.83 POLB (0.57) POLBKDM4ENPC1F10ALDH1A1

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 3292/4885SMN1; SMN2 2573/4885

“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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