SCHEMBL1571746

SCHEMBL1571746

NCCN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.45
LMNA P02545 1/20 0.44
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 2/20 0.37
MMP8 P22894 2/20 0.37
CYP3A4 P08684 1/20 0.37
MMP3 P08254 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP13 P45452 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CACNA1F O60840 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34

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
SCHEMBL11428427 0.89 ADRA1B (0.42) ADRA1BLMNACYP2C19TSHRMMP8
SCHEMBL8723000 0.80 ADRA1B (0.46) ADRA1BLMNATSHRMMP8MMP3
SCHEMBL15461426 0.79 ADRA1B (0.47) ADRA1BLMNACYP2C19TSHRMMP8
SCHEMBL14400476 0.77 CYP2C19 (0.48) ADRA1BLMNACYP2C19MMP2MMP9
SCHEMBL11432815 0.76 FABP4 (0.44) ADRA1BMMP8MMP3MMP2MMP9
SCHEMBL11304673 0.76 ADRA1B (0.48) ADRA1BLMNAMMP8MMP3PKM
SCHEMBL11424253 0.75 TDP1 (0.50) CYP2C19CYP2D6MAPT
SCHEMBL15461431 0.74 OPRL1 (0.41) ADRA1BLMNAALDH1A1PKM
SCHEMBL14353736 0.72 ALDH1A1 (0.42) ADRA1BLMNACYP2C19TSHRMMP8
SCHEMBL15461429 0.72 PKM (0.47) ADRA1BLMNACYP2C19TSHRMMP8

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-2307344-B1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY INC (US) 2015-07-29 EP disclosed
US-8541458-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2013-09-24 US disclosed
US-20120264764-A1 Oxabicycloheptanes and Oxabicycloheptenes, Their Preparation and Use LIXTE BIOTECHNOLOGY, INC. 2012-10-18 US disclosed
US-8227473-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2012-07-24 US disclosed
EP-2307344-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE Lixte Biotechnology, Inc. (US) 2011-04-13 EP disclosed
WO-2010014254-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2010-02-04 WO disclosed
US-20100029484-A1 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. 2010-02-04 US disclosed
US-5304645-A Colored or fluorescent labels BOEHRINGER MANNHEIM GMBH (DE) 1994-04-19 US disclosed
US-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
EP-0209875-B1 RESORUFIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION Roche Diagnostics GmbH (DE) 1990-08-29 EP disclosed
EP-0209875-A1 Resorufin derivatives and process for their preparation Roche Diagnostics GmbH (DE) 1987-01-28 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 (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-20100029484-A1 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use HCCS, OXA1L, OTC ADRA1B 1798/4885LMNA 2628/4885CYP2C19 159/4885
US-20120264764-A1 Oxabicycloheptanes and Oxabicycloheptenes, Their Preparation and Use HCCS, OXA1L, OTC ADRA1B 1798/4885LMNA 2628/4885CYP2C19 159/4885

“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.