SCHEMBL9571829

SCHEMBL9571829

CCCCCCCCCCCCOCC[N+](CCO)(CCO)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 3/20 0.46
▸ THRB P10828 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRNA7 P36544 2/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ SLCO1B3 Q9NPD5 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38

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
Hydrochloric Acid SCHEMBL6358046 0.99 MEN1 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL6362534 0.99 DNM1 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4893332 0.89 MEN1 (0.50) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL27172705 0.85 DNM1 (0.60) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzoxonium SCHEMBL3939819 0.85 DNM1 (0.60) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL27172704 0.85 DNM1 (0.60) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL25330890 0.84 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzoxonium SCHEMBL225516 0.84 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL29742981 0.84 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10717901 0.84 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2015078903-A1 COSMETIC PROCESS FOR LIGHTENING THE SKIN WITH AN ANIONIC OPTICAL BRIGHTENER L'OREAL (FR) 2015-06-04 — — WO 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
EP-0540016-A1 Photosensitive resin and resin composition for lithographic printing Nippon Paint Co., Ltd. (JP) 1993-05-05 — — EP 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 DNM1 837/4885MEN1 3341/4885KMT2A 1587/4885
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 DNM1 2432/4885MEN1 3441/4885KMT2A 2514/4885
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 DNM1 837/4885MEN1 3341/4885KMT2A 1587/4885
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 DNM1 2432/4885MEN1 3441/4885KMT2A 2514/4885

“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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