SCHEMBL20043023

SCHEMBL20043023

CC[N+]1(CC)CCN(C2=CC(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.51
▸ DNMT1 P26358 1/20 0.51
▸ APAF1 O14727 2/20 0.48
▸ TDP2 O95551 2/20 0.48
▸ NSD2 O96028 2/20 0.48
▸ HKDC1 Q2TB90 2/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GALK1 P51570 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ CHRNA10 Q9GZZ6 5/20 0.42
▸ CHRNA9 Q9UGM1 5/20 0.42
▸ SOAT1 P35610 7/20 0.42
▸ S100A4 P26447 3/20 0.42
▸ IDO1 P14902 2/20 0.41

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
SCHEMBL4876610 0.77 APAF1 (0.74) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL31290245 0.77 APAF1 (0.74) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL17249923 0.76 DNMT1 (0.64) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL249168 0.76 APAF1 (0.77) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL31290115 0.76 APAF1 (0.77) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL247037 0.73 KMT2A (0.79) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL246623 0.73 DNMT1 (0.59) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL10115432 0.69 CHRNA7 (1.00) CHRNA7MEN1KMT2ACHRNA10CHRNA9
SCHEMBL4649553 0.66 DNMT1 (0.83) DNMT1APAF1TDP2NSD2HKDC1
SCHEMBL14566963 0.65 DNMT1 (0.56) DNMT1APAF1TDP2NSD2HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-04-12 — — 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-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF NES, CBR3, SQOR CHRNA7 2796/4885DNMT1 258/4885APAF1 4670/4885

“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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