SCHEMBL15840905

SCHEMBL15840905

CNCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAX Q07812 2/20 0.58
▸ MAPT P10636 9/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTR1A P08908 2/20 0.42
▸ ADRA1D P25100 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRA1B P35368 2/20 0.42
▸ PTPRC P08575 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL15840970 0.88 BAX (0.56) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL14721558 0.85 BAX (0.61) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL14721248 0.85 BAX (0.65) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL15840937 0.85 BAX (0.61) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL15837194 0.85 BAX (0.61) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL14721458 0.85 BAX (0.65) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL14721556 0.85 BAX (0.61) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL15837196 0.85 BAX (0.58) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL15837173 0.84 BAX (0.60) BAXMAPTALDH1A1KMT2AMEN1
SCHEMBL15837175 0.83 BAX (0.59) BAXMAPTALDH1A1KMT2AMEN1

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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