SCHEMBL16102580

SCHEMBL16102580

Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc(Br)cc(Br)c1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 13/20 0.64
▸ ALDH1A1 P00352 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ POLB P06746 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ MAPT P10636 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL16102578 1.00 BCHE (0.64) BCHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL28587690 0.78 BCHE (1.00) BCHEMAPT
SCHEMBL28787615 0.75 BCHE (0.84) BCHEMAPT
SCHEMBL29728189 0.75 BCHE (0.84) BCHEMAPT
SCHEMBL28586779 0.75 BCHE (1.00) BCHE
SCHEMBL28573334 0.75 BCHE (1.00) BCHE
SCHEMBL28579918 0.75 BCHE (1.00) BCHEMAPT
SCHEMBL5521696 0.75 KDM4E (0.75) BCHEKDM4EMAPT
SCHEMBL6720919 0.74 KDM4E (1.00) BCHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL28592682 0.74 BCHE (1.00) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202631-B2 Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2019-02-12 — — US claimed
US-10704076-B2 Multi-tiered high through-put screen for compounds effective against bacterial biofilm and compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2020-07-07 — — US disclosed
US-20190127776-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2019-05-02 — — US disclosed
US-10202631-B2 Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2019-02-12 — — US disclosed
US-20160024551-A1 MULTI-TIERED, HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2016-01-28 — — US disclosed
WO-2014152895-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2014-09-25 — — 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 (4 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-20160024551-A1 MULTI-TIERED, HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM PGLS, GLO1, FDPS BCHE 1173/4885ALDH1A1 453/4885MEN1 3341/4885
US-20190127776-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM ABCG2, TOE1, TFPI BCHE 477/4885ALDH1A1 204/4885MEN1 3441/4885
US-10202631-B2 Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm PGLS, GLO1, FDPS BCHE 1173/4885ALDH1A1 453/4885MEN1 3341/4885
US-10704076-B2 Multi-tiered high through-put screen for compounds effective against bacterial biofilm and compounds effective for inhibiting and eradicating bacterial biofilm ABCG2, TOE1, TFPI BCHE 477/4885ALDH1A1 204/4885MEN1 3441/4885

“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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