SCHEMBL5746594

SCHEMBL5746594

O=C(c1cccs1)n1cccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ELANE P08246 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL24254460 0.72 GAA (0.56) ALDH1A1GAAHSD17B10CES2CES1
SCHEMBL11716133 0.71 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10HTTCES2
SCHEMBL135362 0.71 ELANE (0.60) ALDH1A1ALOX15ELANEF2PLAU
SCHEMBL289609 0.70 GAA (0.50) ALDH1A1GAAHSD17B10CES2CES1
SCHEMBL15752416 0.69 ELANE (0.60) ALDH1A1ALOX15ELANEGAAHSD17B10
SCHEMBL11293119 0.68 GAA (0.85) ALDH1A1ALOX15GAAHSD17B10HTT
SCHEMBL1656261 0.68 HCAR2 (0.43) ALDH1A1GAAHSD17B10HTTCES2
SCHEMBL6270074 0.67 L3MBTL1 (0.56) ALDH1A1ALOX15ELANECES2CES1
SCHEMBL11848471 0.67 ELANE (0.59) ALDH1A1ALOX15ELANEHPGDHTT
SCHEMBL1066873 0.66 CES2 (1.00) ALDH1A1ALOX15GAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196108-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE The Trustees of Indiana University (US) 2023-06-21 — — EP claimed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 — — WO claimed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US disclosed
EP-4196108-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE The Trustees of Indiana University (US) 2023-06-21 — — EP disclosed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 — — WO disclosed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 — — WO disclosed
WO-2006069767-A1 PROCESS FOR OBTAINING ENANTIOMERS OF THIENYLAZOLYLALCOXYETHANAMINES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 — — WO disclosed
EP-1674465-A1 Process for obtaining enantiomers of thienylazolylalcoxyethanamines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-28 — — EP disclosed
US-6979742-B1 Process for obtaining enantiomers of thienylazolylalcoxyethanamines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-12-27 — — 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-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE PGLS, BLVRB, CGAS ALDH1A1 4358/4885ALOX15 737/4885ELANE 314/4885

“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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