SCHEMBL14721248

SCHEMBL14721248

O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCO)c1ccccc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAX Q07812 2/20 0.65
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP19A1 P11511 5/20 0.44
▸ CYP11B1 P15538 5/20 0.44
▸ CYP11B2 P19099 5/20 0.44
▸ PTPRC P08575 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ S100A4 P26447 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
SCHEMBL14721458 1.00 BAX (0.65) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15837194 0.91 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15840937 0.88 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14721558 0.88 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14721556 0.88 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15837173 0.87 BAX (0.60) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15837175 0.86 BAX (0.59) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15840905 0.85 BAX (0.58) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15837196 0.85 BAX (0.58) BAXMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15837176 0.84 BAX (0.57) BAXMAPTALDH1A1SMN1; SMN2MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744775-B1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO UNIV EMORY (US) 2018-03-07 — — EP claimed
US-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 — — US claimed
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US claimed
US-9040567-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2015-05-26 — — US claimed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 — — US claimed
EP-2744775-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2014-06-25 — — EP claimed
WO-2013028543-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-02-28 — — WO claimed
EP-2744775-B1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO UNIV EMORY (US) 2018-03-07 — — EP disclosed
US-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 — — US disclosed
US-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 — — US disclosed
US-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 — — US disclosed
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
US-9040567-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2015-05-26 — — US disclosed
US-9040567-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2015-05-26 — — US disclosed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 — — US disclosed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 — — US disclosed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 — — US disclosed
EP-2744775-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2014-06-25 — — EP disclosed
WO-2013028543-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-02-28 — — 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 (2 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-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BAX, BID, BAD BAX 1/4885MAPT 4591/4885ALDH1A1 4139/4885
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BAX, ANXA1, BAD BAX 1/4885MAPT 4140/4885ALDH1A1 2384/4885

“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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