SCHEMBL15840937

SCHEMBL15840937

O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1OCCBr)c1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAX Q07812 2/20 0.61
▸ MAPT P10636 8/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ 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
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40

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
SCHEMBL14721556 0.88 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15837194 0.88 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL14721458 0.88 BAX (0.65) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL14721248 0.88 BAX (0.65) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL14721558 0.88 BAX (0.61) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15837173 0.87 BAX (0.60) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15837175 0.86 BAX (0.59) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15840905 0.85 BAX (0.58) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15837196 0.85 BAX (0.58) BAXMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15837176 0.84 BAX (0.57) BAXMAPTALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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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