SCHEMBL16586786

SCHEMBL16586786

C#CCOCCCCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.83
▸ TOP2A P11388 3/20 0.83
▸ ALDH1A1 P00352 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ SLCO2B1 O94956 1/20 0.70
▸ GLA P06280 1/20 0.70
▸ RECQL P46063 1/20 0.70
▸ BCL2L1 Q07817 1/20 0.70
▸ SLCO1B3 Q9NPD5 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ SLCO1B1 Q9Y6L6 1/20 0.70
▸ HPGD P15428 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL19975798 0.92 TOP1 (0.76) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16586611 0.91 TOP1 (0.80) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12888580 0.91 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL17968532 0.90 TOP1 (0.78) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12888540 0.89 TOP1 (0.96) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL14453641 0.87 ALDH1A1 (0.85) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL23424055 0.85 ALDH1A1 (0.78) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL23424044 0.84 ALDH1A1 (0.80) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL14438587 0.84 ALDH1A1 (0.79) TOP1TOP2AALDH1A1SMN1; SMN2MEN1
SCHEMBL23412226 0.83 ALDH1A1 (0.74) TOP1TOP2AALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920014-B2 Selective inhibition of bacterial topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-03-20 — — US claimed
US-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2016-08-11 — — US claimed
US-9920014-B2 Selective inhibition of bacterial topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-03-20 — — US disclosed
US-9920014-B2 Selective inhibition of bacterial topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-03-20 — — US disclosed
US-9920014-B2 Selective inhibition of bacterial topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-03-20 — — US disclosed
US-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2016-08-11 — — US disclosed
US-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2016-08-11 — — US disclosed
US-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2016-08-11 — — US disclosed
WO-2015042438-A1 SELECTIVE INHIBITION OF BACTERIAL TOPOISOMERASE I THE FLORIDA INTERNATIONAL BOARD OF TRUSTEES MODESTO A. MAIDIQUE CAMPUS (US) 2015-03-26 — — WO disclosed
WO-2015042438-A1 SELECTIVE INHIBITION OF BACTERIAL TOPOISOMERASE I THE FLORIDA INTERNATIONAL BOARD OF TRUSTEES MODESTO A. MAIDIQUE CAMPUS (US) 2015-03-26 — — 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 (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-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I TOP1, TOP2B, TOP2A TOP1 1/4885TOP2A 3/4885ALDH1A1 3784/4885

“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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