SCHEMBL16607505

SCHEMBL16607505

O=C(O)c1ccc(CCCNc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ITGB1 P05556 3/20 0.52
▸ ITGA5 P08648 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ITGB3 P05106 5/20 0.49
▸ ITGAV P06756 5/20 0.49
▸ ITGB5 P18084 2/20 0.49
▸ ITGB6 P18564 2/20 0.49
▸ ASPH Q12797 2/20 0.49
▸ KDM8 Q8N371 2/20 0.49
▸ HCAR3 P49019 2/20 0.48
▸ KDM4D Q6B0I6 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ KDM6B O15054 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ FABP1 P07148 1/20 0.46
▸ FABP6 P51161 1/20 0.46

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
SCHEMBL19892578 0.85 HPGD (0.69) ALDH1A1GAAITGB1ITGA5HPGD
SCHEMBL18906041 0.82 CXCR4 (0.72) ALDH1A1GAAHPGDPOLBCXCR4
SCHEMBL7031930 0.82 ITGB3 (0.63) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL11562872 0.82 HCAR3 (0.68) HPGDASPHKDM8HCAR3KDM6B
SCHEMBL11561012 0.78 HCAR3 (0.68) ASPHKDM8HCAR3KDM6BKDM4C
SCHEMBL11563158 0.77 HCAR3 (0.67) ASPHKDM8HCAR3KDM6BKDM4C
SCHEMBL4394126 0.76 ITGB3 (0.64) ALDH1A1GAAITGB1ITGB3ITGAV
SCHEMBL11258302 0.76 NPC1 (0.55) ALDH1A1GAAHPGDASPHKDM8
SCHEMBL28747079 0.76 ITGB1 (0.53) ALDH1A1GAAITGB1ITGA5HPGD
SCHEMBL6771845 0.76 ITGB3 (0.71) ITGB1ITGA5ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929196-B1 PHARMACEUTICAL COMPOSITION OF A NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2023-08-23 — — EP disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 — — US disclosed
EP-3929196-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM Corporation (JP) 2021-12-29 — — EP disclosed
EP-3050878-B1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2021-10-27 — — EP disclosed
EP-3050878-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF Fujifilm Corporation (JP) 2016-08-03 — — EP disclosed
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2016-07-14 — — US disclosed
WO-2015046278-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF 富士フイルム株式会社 2015-04-02 — — WO 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 (2 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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ALDH1A1 3098/4885GAA 4481/4885ITGB1 2473/4885
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ALDH1A1 3116/4885GAA 4491/4885ITGB1 2496/4885

“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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