SCHEMBL4769091

SCHEMBL4769091

COc1cc(-c2cc(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.72
▸ ALDH1A1 P00352 8/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ HTT P42858 2/20 0.60
▸ CYP1A2 P05177 1/20 0.55
▸ WNK1 Q9H4A3 1/20 0.54
▸ MCL1 Q07820 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ LSS P48449 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
SCHEMBL4771108 0.96 POLB (0.66) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4769312 0.95 POLB (0.64) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4766504 0.90 KDM4E (0.62) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4766164 0.90 WNK1 (0.61) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4770714 0.90 POLB (0.57) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4769279 0.89 POLB (0.57) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL4768430 0.88 POLB (0.53) POLBALDH1A1CYP3A4CYP2C9
Fumaric Acid SCHEMBL4774068 0.88 MEN1 (0.57) POLBALDH1A1KDM4EMEN1KMT2A
Maleic Acid SCHEMBL4774061 0.88 MEN1 (0.57) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL7122957 0.87 KDM4E (0.63) POLBALDH1A1KDM4EMEN1KMT2A

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 901/4885ALDH1A1 1083/4885KDM4E 3292/4885

“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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