SCHEMBL16788841

SCHEMBL16788841

[N-]=[N+]=NCCCCn1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.60
▸ SMN1; SMN2 Q16637 9/20 0.57
▸ LMNA P02545 6/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HTT P42858 7/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 4/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ EGLN3 Q9H6Z9 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ P2RX7 Q99572 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48

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
SCHEMBL3161153 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814241 0.82 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL2331250 0.82 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL353009 0.82 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
Ammonia Solution, Strong SCHEMBL7100443 0.82 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL352046 0.82 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL30294105 0.81 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814242 0.81 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL13527118 0.80 MEN1 (0.41) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL30150452 0.79 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15

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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TDP1 2776/4885SMN1; SMN2 2993/4885LMNA 2404/4885

“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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