SCHEMBL17872139

SCHEMBL17872139

[N-]=[N+]=NCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.51
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ACHE P22303 4/20 0.49

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
SCHEMBL20595306 1.00 TDP1 (0.55) TDP1L3MBTL1ALDH1A1HDAC8HDAC3
SCHEMBL13884659 1.00 TDP1 (0.55) TDP1L3MBTL1ALDH1A1HDAC8HDAC3
SCHEMBL30041074 0.98 TDP1 (0.53) TDP1L3MBTL1ALDH1A1HDAC8HDAC3
SCHEMBL16068174 0.98 TDP1 (0.53) TDP1L3MBTL1ALDH1A1HDAC8HDAC3
SCHEMBL13509920 0.93 ALDH1A1 (0.54) TDP1L3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL29707271 0.93 ALDH1A1 (0.54) TDP1L3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL30999497 0.86 GLS (0.52) TDP1L3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL13754582 0.86 GLS (0.52) TDP1L3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL2604742 0.82 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL8862878 0.82 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4

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
EP-4704915-A1 LINKERS FOR DRUG CONJUGATES AND ANTIBODY DRUG CONJUGATES BioAtla, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226567-A1 LINKERS FOR DRUG CONJUGATES AND ANTIBODY DRUG CONJUGATES BIOATLA, INC. (US) 2024-10-31 — — WO disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — US disclosed
EP-3237429-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF Lumiphore, Inc. (US) 2017-11-01 — — EP disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 — — WO disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 — — 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM TDP1 3621/4885L3MBTL1 551/4885ALDH1A1 1477/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM TDP1 3621/4885L3MBTL1 551/4885ALDH1A1 1477/4885

“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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