SCHEMBL7122957

SCHEMBL7122957

COc1cc(-c2cc(CN3CCN(C(=O)c4cccnc4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ TDP1 Q9NUW8 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ F10 P00742 1/20 0.53
▸ WNK1 Q9H4A3 1/20 0.51
▸ FABP6 P51161 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
Hydrochloric Acid SCHEMBL4768302 0.99 KDM4E (0.62) KDM4EALDH1A1TDP1HTTMEN1
SCHEMBL4771108 0.91 POLB (0.66) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4766504 0.90 KDM4E (0.62) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4766164 0.88 WNK1 (0.61) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL4769312 0.88 POLB (0.64) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4769091 0.87 POLB (0.72) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4770714 0.86 POLB (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4769279 0.85 POLB (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4772944 0.83 POLB (0.54) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4763764 0.83 TGFBR1 (0.49) KDM4EALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3292/4885ALDH1A1 1083/4885TDP1 2313/4885

“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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